SCHEMBL697919

SCHEMBL697919

C=C(c1ccc(Cl)c(C)c1)c1ncc[nH]1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
KMT2A Q03164 1/20 0.39
TSHR P16473 1/20 0.38
BRAF P15056 2/20 0.34
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
TAS1R2 Q8TE23 1/20 0.34
S1PR3 Q99500 3/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 2/20 0.33
S1PR1 P21453 2/20 0.33
NISCH Q9Y2I1 1/20 0.33
HDAC1 Q13547 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MCL1 Q07820 1/20 0.31

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
SCHEMBL697433 0.88 NPC1 (0.44) NPC1RAB9AKMT2AALDH1A1KDM4E
SCHEMBL697587 0.86 KMT2A (0.42) NPC1RAB9AKMT2ATSHRBRAF
SCHEMBL703290 0.82 NPC1 (0.44) NPC1RAB9AMAOAMAOBALDH1A1
SCHEMBL27845585 0.79 KMT2A (0.37) NPC1RAB9AKMT2ABRAFALDH1A1
SCHEMBL697991 0.79 CYP1A2 (0.41) NPC1RAB9AKMT2ABRAFTAS1R3
SCHEMBL712135 0.78 NPC1 (0.65) NPC1RAB9AKMT2ATSHRBRAF
SCHEMBL702086 0.77 KMT2A (0.46) NPC1RAB9AKMT2ABRAFALDH1A1
SCHEMBL696226 0.76 KMT2A (0.41) NPC1RAB9AKMT2AALDH1A1KDM4E
SCHEMBL1573195 0.76 NPC1 (0.46) NPC1RAB9AKMT2ANISCHSMN1; SMN2
SCHEMBL696628 0.74 NPC1 (0.47) NPC1RAB9AKMT2AALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2423199-A1 Substituted imidazoles and their use as pesticides Pfizer Limited (GB) 2012-02-29 EP disclosed
EP-1981853-B1 SUBSTITUTED IMIDAZOLES AND THEIR USE AS PESTICIDES PFIZER LTD (GB) 2011-04-13 EP disclosed