SCHEMBL4187104

SCHEMBL4187104

O=c1nc(-c2ccc(F)cc2)oc2sccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.55
▸ ALDH1A1 P00352 2/20 0.45
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ NPC1 O15118 4/20 0.42
▸ RAB9A P51151 4/20 0.42
▸ NOTUM Q6P988 1/20 0.41
▸ USP1 O94782 1/20 0.41
▸ USP19 O94966 1/20 0.41
▸ UCHL3 P15374 1/20 0.41
▸ ATM Q13315 1/20 0.39
▸ TP53 P04637 7/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ SMN1; SMN2 Q16637 4/20 0.39
▸ GUSB P08236 1/20 0.38
▸ POLB P06746 1/20 0.37
▸ TSHR P16473 2/20 0.37
▸ HSD17B10 Q99714 2/20 0.37
▸ HPGD P15428 1/20 0.36
▸ THRB P10828 1/20 0.36

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
SCHEMBL4395617 0.77 MAPT (0.61) MAPTALDH1A1MEN1KMT2ANPC1
SCHEMBL6032690 0.77 MAPT (0.61) MAPTALDH1A1MEN1KMT2ANPC1
SCHEMBL6031759 0.75 MEN1 (0.65) MAPTALDH1A1MEN1KMT2ANPC1
SCHEMBL6032369 0.73 ALDH1A1 (0.54) MAPTALDH1A1MEN1KMT2ANPC1
SCHEMBL914214 0.71 MAPT (1.00) MAPTALDH1A1MEN1KMT2ANPC1
SCHEMBL812662 0.64 NPC1 (0.53) MAPTALDH1A1MEN1KMT2ANPC1
SCHEMBL913448 0.64 ELANE (0.78) MAPTALDH1A1MEN1KMT2ANPC1
SCHEMBL12614772 0.62 PSMB8 (0.68) MAPTALDH1A1NPC1RAB9ANOTUM
SCHEMBL5963788 0.61 RAB9A (0.61) MAPTALDH1A1NPC1RAB9AKDM4E
SCHEMBL12927374 0.61 ELANE (0.56) MAPTALDH1A1MEN1KMT2ANPC1

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-2009026241-A1 HETEROCYCLIC MODULATORS OF TGR5 KALYPSYS, INC. (US) 2009-02-26 — — WO disclosed
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