SCHEMBL11558352

SCHEMBL11558352

COc1ccc(NC(=O)NC(=O)c2cccnc2)cc1

nearest known ligand 0.80

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.71
NPC1 O15118 1/20 0.71
KDM4E B2RXH2 3/20 0.69
KMT2A Q03164 5/20 0.64
POLB P06746 3/20 0.64
GAA P10253 2/20 0.61
ALDH1A1 P00352 1/20 0.61
TSHR P16473 2/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
CYP3A4 P08684 1/20 0.59
THRB P10828 1/20 0.56

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
SCHEMBL11195433 0.89 KMT2A (0.80) RAB9ANPC1KDM4EKMT2APOLB
SCHEMBL10761136 0.83 ROCK2 (0.77) RAB9ANPC1KMT2AALDH1A1SMN1; SMN2
SCHEMBL28276093 0.83 NPC1 (0.70) RAB9ANPC1KMT2AGAAALDH1A1
SCHEMBL23747792 0.82 NAMPT (0.66) RAB9ANPC1KDM4EKMT2APOLB
SCHEMBL30361410 0.82 NAMPT (0.66) RAB9ANPC1KDM4EKMT2APOLB
SCHEMBL11554887 0.82 KMT2A (0.60) RAB9ANPC1KMT2APOLBGAA
SCHEMBL14880379 0.79 PKM (0.79) RAB9ANPC1KMT2APOLBTSHR
SCHEMBL6741490 0.78 KMT2A (0.63) RAB9ANPC1KDM4EKMT2APOLB
SCHEMBL11551985 0.78 ALDH1A1 (0.80) RAB9ANPC1KMT2APOLBALDH1A1
SCHEMBL4863530 0.78 KDM4E (0.59) RAB9ANPC1KDM4EKMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4148902-A N-[(optionally substituted phenylamino)carbonyl] pyridine carboxamides and insecticidal use thereof THE DOW CHEMICAL COMPANY (US) 1979-04-10 US claimed