SCHEMBL4726461

SCHEMBL4726461

O=c1[nH]cnc2cc(-c3ccncc3)sc12

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.78
NPC1 O15118 3/20 0.78
SMN1; SMN2 Q16637 2/20 0.78
MAPT P10636 1/20 0.78
PDPK1 O15530 4/20 0.74
POLB P06746 1/20 0.74
ALDH1A1 P00352 2/20 0.68
HPGD P15428 2/20 0.68
KDM4E B2RXH2 1/20 0.68
CDC7 O00311 4/20 0.57
DBF4 Q9UBU7 4/20 0.57
GSK3B P49841 7/20 0.52
ROCK1 Q13464 1/20 0.47
PARP1 P09874 1/20 0.46
LMNA P02545 1/20 0.46
CDK2 P24941 4/20 0.45
KDM4A O75164 1/20 0.45
KDM4B O94953 1/20 0.45
KDM5C P41229 1/20 0.45
KDM4C Q9H3R0 1/20 0.45

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
SCHEMBL3936506 0.88 RAB9A (1.00) RAB9ANPC1SMN1; SMN2MAPTPDPK1
SCHEMBL4207689 0.85 RAB9A (0.74) RAB9ANPC1SMN1; SMN2MAPTPDPK1
SCHEMBL4208111 0.85 RAB9A (0.74) RAB9ANPC1SMN1; SMN2MAPTPDPK1
SCHEMBL4213116 0.85 PDPK1 (1.00) RAB9ANPC1SMN1; SMN2MAPTPDPK1
SCHEMBL17268781 0.85 RAB9A (0.74) RAB9ANPC1SMN1; SMN2MAPTPDPK1
SCHEMBL4207684 0.85 RAB9A (0.74) RAB9ANPC1SMN1; SMN2MAPTPDPK1
SCHEMBL5641135 0.84 RAB9A (0.68) RAB9ANPC1SMN1; SMN2MAPTPDPK1
SCHEMBL15703311 0.81 NPC1 (1.00) RAB9ANPC1SMN1; SMN2MAPTPDPK1
SCHEMBL4209817 0.81 RAB9A (0.77) RAB9ANPC1SMN1; SMN2MAPTPDPK1
SCHEMBL4208313 0.81 RAB9A (0.77) RAB9ANPC1SMN1; SMN2MAPTPDPK1

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
WO-2008002575-A1 MELANIN CONCENTRATING HORMONE ANTAGONISTS THE PROCTER & GAMBLE COMPANY (US) 2008-01-03 WO disclosed