SCHEMBL11065091

SCHEMBL11065091

O=[N+]([O-])c1ccc(Oc2ccccc2)cc1C1=NCCO1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
TTR P02766 1/20 0.37
ALB P02768 1/20 0.37
THRB P10828 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
KDM4E B2RXH2 1/20 0.37
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
CASP3 P42574 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
ALDH1A1 P00352 4/20 0.36
PIN1 Q13526 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
POLB P06746 1/20 0.36
TLR4 O00206 2/20 0.36
TLR2 O60603 2/20 0.36

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
SCHEMBL4543383 0.79 ALDH1A1 (0.47) SMN1; SMN2MEN1KMT2ATDP1KDM4E
SCHEMBL11069022 0.76 TDP1 (0.57) SMN1; SMN2MEN1KMT2ATTRTDP1
SCHEMBL10717379 0.72 ALDH1A1 (0.55) HTR6MEN1KMT2ATTRALB
SCHEMBL11156706 0.72 PIN1 (0.40) HTR6SMN1; SMN2MEN1KMT2ATTR
SCHEMBL11091901 0.72 LTA4H (0.55) SMN1; SMN2MEN1KMT2ATTRALB
SCHEMBL7967638 0.71 ALDH1A1 (0.45) SMN1; SMN2MEN1KMT2ATDP1KDM4E
SCHEMBL8563304 0.70 HTT (0.39) SMN1; SMN2MEN1KMT2ATHRBKDM4E
SCHEMBL11067702 0.70 HTR6 (0.57) HTR6MEN1KMT2ATTRALB
SCHEMBL11154755 0.69 SYK (0.43) HTR6MEN1KMT2ATTRALB
SCHEMBL2138411 0.68 TDP1 (0.47) HTR6SMN1; SMN2MEN1KMT2ATTR

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-4431439-A PLANT GROWTH INHIBITORS; SELELCTIVE FOR CEREAL CROPS CIBA-GEIGY CORPORATION (US) 1984-02-14 US disclosed
EP-0035475-B1 HERBICIDALLY ACTIVE 2-NITRO-5-PHENOXYPHENYL OXAZOLES, OXAZINES, IMIDAZOLES, PYRIMIDINES AND THIAZOLES, THEIR PREPARATION AND THEIR USE CIBA-GEIGY AG (CH) 1983-11-30 EP disclosed
US-4405627-A ANTISPASMODIC AGENTS; MUSCLE RELAXANTS; LOCAL ANESTHETICS ITALIANA SCHOUM S.P.A. (IT) 1983-09-20 US disclosed
US-4350519-A SELECTIVE ACTION, PRE- AND POSTEMERGENCE CIBA-GEIGY CORPORATION (US) 1982-09-21 US disclosed
EP-0035475-A1 Herbicidally active 2-nitro-5-phenoxyphenyl oxazoles, oxazines, imidazoles, pyrimidines and thiazoles, their preparation and their use CIBA-GEIGY AG (CH) 1981-09-09 EP disclosed