SCHEMBL10344918

SCHEMBL10344918

CCOC(=O)C(C#N)=CN(C)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.61
PDCD1 Q15116 1/20 0.54
CD274 Q9NZQ7 1/20 0.54
MAPT P10636 7/20 0.51
TP53 P04637 2/20 0.51
DHODH Q02127 1/20 0.51
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
POLB P06746 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
MIF P14174 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
ALDH1A1 P00352 7/20 0.49
STAT1 P42224 1/20 0.49
ATM Q13315 1/20 0.47
PTP4A1 Q93096 1/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11804115 1.00 CYP2C9 (0.61) CYP2C9PDCD1CD274MAPTTP53
SCHEMBL11808278 0.87 CYP2C9 (0.56) CYP2C9PDCD1CD274MAPTDHODH
SCHEMBL11808271 0.87 CYP2C9 (0.56) CYP2C9PDCD1CD274MAPTDHODH
SCHEMBL11809126 0.86 DNM1 (0.45) CYP2C9PDCD1CD274MAPTTP53
SCHEMBL11806732 0.86 DNM1 (0.45) CYP2C9PDCD1CD274MAPTTP53
SCHEMBL11804388 0.85 CYP2C9 (0.57) CYP2C9PDCD1CD274MAPTNPC1
SCHEMBL11804382 0.85 CYP2C9 (0.57) CYP2C9PDCD1CD274MAPTNPC1
SCHEMBL11801924 0.85 CYP2C9 (0.53) CYP2C9PDCD1CD274MAPTDHODH
SCHEMBL11801919 0.85 CYP2C9 (0.53) CYP2C9PDCD1CD274MAPTDHODH
SCHEMBL11800725 0.84 RAB9A (0.48) CYP2C9MAPTRAB9ASMN1; SMN2POLB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 72 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3984475-A IN ALKALI METAL HYDROXIDE AND A PHOSPHONIUM SALT AS THE CATALYST KURARAY CO., LTD. (JA) 1976-10-05 US claimed
US-3981717-A ANILINO COMPOUNDS AMERICAN CYANAMID COMPANY (US) 1976-09-21 US claimed
EP-0192111-B1 ISO-UREAS, PROCESSES FOR THEIR PRODUCTION AND THEIR USE AS HERBICIDES BASF Aktiengesellschaft (DE) 1990-05-16 EP disclosed
EP-0121129-B1 2,5-DIHYDRO-5-ARYLIMINO-PYRROLES, PROCESS FOR THEIR PRODUCTION AND THEIR USES AS HERBICIDES BASF Aktiengesellschaft (DE) 1989-02-01 EP disclosed
US-4789747-A BROAD LEAF PLANTS, GRASSES, WEEDS BASF AKTIENGESELLSCHAFT (DE) 1988-12-06 US disclosed
US-4761175-A M-anilido-urethanes and herbicides containing these compounds BASF AKTIENGESELLSCHAFT (DE) 1988-08-02 US disclosed
US-4744812-A HALOGENATED DIPHENYL ETHER BASF AKTIENGESELLSCHAFT (DE) 1988-05-17 US disclosed
US-4726837-A Use of 4H-pyrido[2,3-d][1,3]oxazin-4-one derivatives for controlling undesirable plant growth BASF AKTIENGESELLSCHAFT (DE) 1988-02-23 US disclosed
US-4715889-A HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1987-12-29 US disclosed
US-4692187-A HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1987-09-08 US disclosed
US-4632696-A POSTEMERGENCE, PREEMERGENCE APPLICATIONS BASF AKTIENGESELLSCHAFT (DE) 1986-12-30 US disclosed
EP-0042991-A1 Carbonyl-amino-urethanes and herbicidal and fungicidal compositions containing them BASF Aktiengesellschaft (DE) 1982-01-06 EP disclosed
EP-0041613-A1 Derivatives of aralkylaniline and herbicides containing these compounds BASF Aktiengesellschaft (DE) 1981-12-16 EP disclosed
EP-0041145-A2 Aralkyl-phenyl ureas and their herbicidal compositions BASF Aktiengesellschaft (DE) 1981-12-09 EP disclosed
EP-0035712-A1 N-aryl(thiol) carbamates, process for their preparation and their use in combating undesired plant growth BASF Aktiengesellschaft (DE) 1981-09-16 EP disclosed
EP-0032242-A1 4H-3,1-benzoxazine derivatives, process for their preparation and their use in inhibiting the growth of unwanted plants BASF Aktiengesellschaft (DE) 1981-07-22 EP disclosed
EP-0028355-A1 1,2-Oxazolylalkyl carbamates, their preparation, their use as herbicides, and herbicides BASF Aktiengesellschaft (DE) 1981-05-13 EP disclosed
US-4057414-A O-(METHYLAMINOSULFONYL)-GLYCOLIC ACID HEXAMETHYLENE OR HEPTAMETHYLENE AMIDE, PROPIONIC ACID 3,4-DICHLOROANILIDE BASF AKTIENGESELLSCHAFT (DT) 1977-11-08 US disclosed
US-3984475-A IN ALKALI METAL HYDROXIDE AND A PHOSPHONIUM SALT AS THE CATALYST KURARAY CO., LTD. (JA) 1976-10-05 US disclosed
US-3981717-A ANILINO COMPOUNDS AMERICAN CYANAMID COMPANY (US) 1976-09-21 US disclosed