SCHEMBL697814

SCHEMBL697814

C=C(c1ncc[nH]1)c1cc(C)ccc1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.46
NPC1 O15118 1/20 0.46
NISCH Q9Y2I1 1/20 0.41
KMT2A Q03164 2/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
MEN1 O00255 1/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2C19 P33261 2/20 0.34
CYP3A4 P08684 1/20 0.34
APOBEC3A P31941 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34
ALDH1A1 P00352 4/20 0.33
CYP2D6 P10635 1/20 0.33
LMNA P02545 2/20 0.33
PTGES O14684 1/20 0.32
KDM4E B2RXH2 1/20 0.32
GLA P06280 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MAPT P10636 2/20 0.32
CYP2C9 P11712 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
SCHEMBL702086 0.85 KMT2A (0.46) RAB9ANPC1NISCHKMT2ASMN1; SMN2
SCHEMBL697291 0.81 KMT2A (0.46) RAB9ANPC1NISCHKMT2ASMN1; SMN2
SCHEMBL712135 0.77 NPC1 (0.65) RAB9ANPC1NISCHKMT2ASMN1; SMN2
SCHEMBL697617 0.76 NPC1 (0.42) RAB9ANPC1NISCHKMT2ASMN1; SMN2
SCHEMBL697619 0.75 KMT2A (0.41) RAB9ANPC1NISCHKMT2ASMN1; SMN2
SCHEMBL1573195 0.75 NPC1 (0.46) RAB9ANPC1NISCHKMT2ASMN1; SMN2
SCHEMBL697771 0.75 SMPD3 (0.42) RAB9ANPC1KMT2ASMN1; SMN2CYP1A2
SCHEMBL696628 0.73 NPC1 (0.47) RAB9ANPC1NISCHKMT2ASMN1; SMN2
SCHEMBL11137294 0.73 NPC1 (0.42) RAB9ANPC1NISCHKMT2ASMN1; SMN2
SCHEMBL698900 0.73 KMT2A (0.46) RAB9ANPC1NISCHKMT2ASMN1; 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