SCHEMBL11085536

SCHEMBL11085536

CC(=O)c1c(Nc2ccccc2)n[nH]c1C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
MLKL Q8NB16 1/20 0.46
BRD4 O60885 1/20 0.46
EP300 Q09472 1/20 0.46
CREBBP Q92793 1/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
AURKA O14965 1/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
POLB P06746 2/20 0.41
GRM4 Q14833 1/20 0.41
GAA P10253 2/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL10488953 0.89 MAPT (0.56) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL10675567 0.85 SMN1; SMN2 (0.53) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL10488775 0.81 SMN1; SMN2 (0.70) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL11083708 0.80 SMN1; SMN2 (0.49) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL11149734 0.77 SMN1; SMN2 (0.46) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL10488476 0.76 LRRK2 (0.50) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL4021167 0.76 CDK2 (0.47) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL10488935 0.75 EGFR (0.54) SMN1; SMN2NPC1RAB9AGRM4HPGD
SCHEMBL9006219 0.74 GAA (0.62) MAPTSMN1; SMN2AURKAHTTNPC1
SCHEMBL10483004 0.74 MAPT (0.50) MAPTCYP1A2CYP3A4CYP2D6CYP2C9

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4424363-A HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1984-01-03 US disclosed
US-4354031-A HERBICIDES BASF ATIENGESELLSCHAFT (DE) 1982-10-12 US disclosed
US-4316039-A HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1982-02-16 US disclosed
US-4260775-A Substituted 3-aminopyrazoles BASF AKTIENGESELLSCHAFT (DE) 1981-04-07 US disclosed
EP-0002180-A1 Substituted 3-aminopyrazoles, herbicides containing them and method for controlling undesirable growth of plants BASF Aktiengesellschaft (DE) 1979-06-13 EP disclosed