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SCHEMBL4023360

SCHEMBL4023360

CCCCCc1c(-c2ccc3c(Br)c(C(OC(c4nnn[nH]4)c4ccc5cc(-c6c(CCCCC)c7ccccc7n6C)ccc5c4Br)c4nnn[nH]4)ccc3c2)n(C)c2ccccc12

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.32
▸ HPGD P15428 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ HSD11B1 P28845 2/20 0.31
▸ MEN1 O00255 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ KMT2A Q03164 1/20 0.30

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
SCHEMBL4024377 0.89 TLR7 (0.33) ALDH1A1MEN1TSHRKMT2A
SCHEMBL4021086 0.81 PTPN1 (0.37) ALDH1A1HPGDHSD17B10HSD11B1MEN1
SCHEMBL4192748 0.81 ALDH1A1 (0.35) ALDH1A1HPGDHSD17B10HSD11B1MEN1
SCHEMBL4023946 0.76 ALDH1A1 (0.41) ALDH1A1HPGDHSD17B10HSD11B1MEN1
SCHEMBL4953627 0.76 PTPN1 (0.46) ALDH1A1HPGDHSD17B10MEN1TSHR
SCHEMBL4021345 0.75 PSEN1 (0.36) ALDH1A1HPGDHSD17B10HSD11B1MEN1
SCHEMBL4023365 0.75 HSD11B1 (0.34) ALDH1A1HPGDHSD17B10HSD11B1MEN1
SCHEMBL4192744 0.74 ALDH1A1 (0.34) ALDH1A1HPGDHSD17B10HSD11B1MEN1
SCHEMBL4024325 0.72 PSEN1 (0.42) ALDH1A1HPGDHSD17B10RAB9A
SCHEMBL4022869 0.72 PTPN1 (0.52) ALDH1A1HPGDHSD17B10

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
EP-1397356-B1 SUBSTITUTED NAPHTHYL INDOLE DERIVATIVES AS INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR TYPE-1 (PAI-1) WYETH CORP (US) 2009-05-13 — — EP claimed