SCHEMBL27896963

SCHEMBL27896963

Cc1c(N)ccc2cc(C(=O)O)[nH]c12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 6/20 0.53
▸ ALDH1A1 P00352 4/20 0.53
▸ HSD17B10 Q99714 4/20 0.53
▸ MEN1 O00255 1/20 0.53
▸ USP2 O75604 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ EIF4A3 P38919 2/20 0.50
▸ GPR35 Q9HC97 2/20 0.46
▸ PIN1 Q13526 1/20 0.46
▸ KDM4E B2RXH2 5/20 0.45
▸ LMNA P02545 2/20 0.45
▸ APEX1 P27695 2/20 0.44
▸ DAO P14920 2/20 0.42
▸ MAPT P10636 1/20 0.42
▸ SRD5A2 P31213 1/20 0.42
▸ GLA P06280 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ TSHR P16473 2/20 0.41
▸ RHEB Q15382 1/20 0.40
▸ SMAD3 P84022 1/20 0.40

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
SCHEMBL3094576 0.83 HSD17B10 (0.56) HPGDALDH1A1HSD17B10MEN1USP2
SCHEMBL30817101 0.83 HSD17B10 (0.56) HPGDALDH1A1HSD17B10MEN1USP2
SCHEMBL8985835 0.81 HPGD (0.60) HPGDALDH1A1HSD17B10MEN1USP2
SCHEMBL13684403 0.80 CDK1 (0.54) HPGDALDH1A1HSD17B10MEN1KMT2A
SCHEMBL27527790 0.80 HPGD (0.53) HPGDALDH1A1HSD17B10MEN1USP2
SCHEMBL3605104 0.80 HPGD (0.53) HPGDALDH1A1HSD17B10MEN1USP2
SCHEMBL3599395 0.80 EIF4A3 (0.57) HPGDALDH1A1HSD17B10MEN1USP2
SCHEMBL3632164 0.76 HSD17B10 (0.60) HPGDALDH1A1HSD17B10MEN1USP2
SCHEMBL27523308 0.75 EIF4A3 (0.68) HPGDALDH1A1HSD17B10MEN1USP2
SCHEMBL28740680 0.73 HPGD (0.53) HPGDALDH1A1HSD17B10MEN1USP2

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
CN-102781914-B Indole derivatives TAKEDA PHARMACEUTICAL 2014-09-17 — — CN disclosed
CN-102781914-A Indole derivatives TAKEDA PHARMACEUTICAL 2012-11-14 — — CN disclosed
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