SCHEMBL712135

SCHEMBL712135

C=C(c1ccc(C)cc1)c1ncc[nH]1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.65
RAB9A P51151 3/20 0.65
NISCH Q9Y2I1 2/20 0.50
ALDH1A1 P00352 5/20 0.38
KDM4E B2RXH2 2/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
KMT2A Q03164 1/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
BRAF P15056 1/20 0.35
HDAC1 Q13547 1/20 0.35
ALOX5 P09917 1/20 0.34
LMNA P02545 1/20 0.33
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
MTOR P42345 1/20 0.32
ADK P55263 1/20 0.32
TP53 P04637 1/20 0.32

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
SCHEMBL696628 0.82 NPC1 (0.47) NPC1RAB9ANISCHALDH1A1KDM4E
SCHEMBL697784 0.81 MTOR (0.47) NPC1RAB9ANISCHALDH1A1KDM4E
SCHEMBL1573195 0.80 NPC1 (0.46) NPC1RAB9ANISCHSMN1; SMN2KMT2A
SCHEMBL6420193 0.79 NPC1 (1.00) NPC1RAB9ANISCHALDH1A1KDM4E
SCHEMBL703336 0.78 NPC1 (0.44) NPC1RAB9AALDH1A1KDM4ECES2
SCHEMBL1507800 0.78 CYP19A1 (0.41) NPC1RAB9AALDH1A1KDM4EPDE4A
SCHEMBL11137294 0.78 NPC1 (0.42) NPC1RAB9ANISCHALDH1A1KDM4E
SCHEMBL697919 0.78 NPC1 (0.44) NPC1RAB9ANISCHALDH1A1KDM4E
SCHEMBL697433 0.78 NPC1 (0.44) NPC1RAB9AALDH1A1KDM4EKMT2A
SCHEMBL703290 0.78 NPC1 (0.44) NPC1RAB9AALDH1A1KDM4E

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