SCHEMBL4675977

SCHEMBL4675977

CCCCc1c(OC(=O)N(C)Cc2ccc3c(Br)c(OCc4nnn[nH]4)ccc3c2)oc2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 11/20 0.49
NCEH1 Q6PIU2 6/20 0.40
RAB9A P51151 2/20 0.33
NPC1 O15118 1/20 0.32
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL4673192 0.92 PTPN1 (0.43) PTPN1NCEH1RAB9ANPC1MAPT
SCHEMBL4675976 0.90 PTPN1 (0.39) PTPN1NCEH1RAB9ANPC1MAPT
SCHEMBL4672473 0.89 PTPN1 (0.51) PTPN1NCEH1
SCHEMBL4674024 0.84 PTPN1 (0.43) PTPN1NCEH1RAB9ANPC1MAPT
SCHEMBL4783542 0.82 NCEH1 (0.41) PTPN1NCEH1RAB9ANPC1MAPT
SCHEMBL4674079 0.81 PTPN1 (0.52) PTPN1NCEH1RAB9ANPC1MAPT
SCHEMBL4672520 0.81 PTPN1 (0.50) PTPN1NCEH1RAB9ANPC1MAPT
SCHEMBL4676141 0.81 PTPN1 (0.43) PTPN1NCEH1RAB9ANPC1MAPT
SCHEMBL5416247 0.80 PTPN1 (0.68) PTPN1NCEH1
SCHEMBL4673613 0.80 PTPN1 (0.54) PTPN1

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-1397341-B1 6-(ARYL-AMIDO OR ARYL-AMIDOMETHYL)-NAPHTHALEN-2-YLOXY-ACIDIC DERIVATIVES AS INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR TYPE-1 (PAI-1) WYETH CORP (US) 2008-08-06 EP claimed