SCHEMBL696628

SCHEMBL696628

C=C(c1cc(C)cc(C)c1)c1ncc[nH]1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
NISCH Q9Y2I1 1/20 0.38
ALDH1A1 P00352 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SMPD3 Q9NY59 1/20 0.33
TPMT P51580 1/20 0.32
KDM4E B2RXH2 2/20 0.32
KMT2A Q03164 1/20 0.32
PRSS1 P07477 1/20 0.31
PRSS2 P07478 1/20 0.31
C1S P09871 1/20 0.31
PRSS3 P35030 1/20 0.31
BRD4 O60885 1/20 0.30

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
SCHEMBL697210 0.89 NPC1 (0.42) NPC1RAB9ANISCHALDH1A1SMN1; SMN2
SCHEMBL1573195 0.83 NPC1 (0.46) NPC1RAB9ANISCHSMN1; SMN2KMT2A
SCHEMBL712135 0.82 NPC1 (0.65) NPC1RAB9ANISCHALDH1A1SMN1; SMN2
SCHEMBL697617 0.81 NPC1 (0.42) NPC1RAB9ANISCHALDH1A1SMN1; SMN2
SCHEMBL706123 0.79 NPC1 (0.37) NPC1RAB9A
SCHEMBL11137294 0.78 NPC1 (0.42) NPC1RAB9ANISCHALDH1A1SMN1; SMN2
SCHEMBL697919 0.74 NPC1 (0.44) NPC1RAB9ANISCHALDH1A1SMN1; SMN2
SCHEMBL697433 0.74 NPC1 (0.44) NPC1RAB9AALDH1A1KDM4EKMT2A
SCHEMBL703290 0.74 NPC1 (0.44) NPC1RAB9AALDH1A1KDM4E
SCHEMBL697784 0.74 MTOR (0.47) NPC1RAB9ANISCHALDH1A1SMN1; SMN2

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