SCHEMBL13868460

SCHEMBL13868460

COc1cccc(/C=N/Nc2ccc(C)cc2C)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRM5 P08912 1/20 0.53
▸ NPC1 O15118 6/20 0.52
▸ RAB9A P51151 5/20 0.52
▸ APEX1 P27695 1/20 0.50
▸ NQO2 P16083 2/20 0.48
▸ MAPT P10636 4/20 0.46
▸ POLB P06746 3/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ LMNA P02545 4/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ TDP1 Q9NUW8 2/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ PLA2G10 O15496 1/20 0.46
▸ MGAM O43451 1/20 0.46
▸ PLA2G2A P14555 1/20 0.46
▸ PLA2G5 P39877 1/20 0.46
▸ PLA2G12A Q9BZM1 1/20 0.46
▸ PKM P14618 2/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ RAD52 P43351 1/20 0.46

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
SCHEMBL21294997 1.00 CHRM5 (0.53) CHRM5NPC1RAB9AAPEX1NQO2
SCHEMBL15177199 0.82 CHRM5 (0.57) CHRM5NPC1RAB9AAPEX1MAPT
SCHEMBL28255839 0.82 NQO2 (0.43) NPC1RAB9ANQO2MAPTPOLB
SCHEMBL28254766 0.76 MEN1 (0.40) NPC1RAB9ANQO2MAPTPOLB
SCHEMBL25731888 0.75 CHRM5 (0.68) CHRM5NPC1RAB9AMAPTPOLB
SCHEMBL28255841 0.74 GFER (0.65) NPC1RAB9ANQO2MAPTPOLB
SCHEMBL25731885 0.73 CHRM5 (0.66) CHRM5NPC1RAB9AMAPTKMT2A
SCHEMBL5593276 0.73 NQO2 (0.87) NPC1APEX1NQO2POLBKMT2A
SCHEMBL5593274 0.73 NQO2 (0.87) NPC1APEX1NQO2POLBKMT2A
SCHEMBL28621063 0.72 MAPT (0.56) NPC1RAB9ANQO2MAPTPOLB

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-7531669-B2 Methods for treating neural disorders and conditions, and compounds useful therefor THE SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2009-05-12 — — US disclosed
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