SCHEMBL6590433

SCHEMBL6590433

O=C1C[N+](=O)Oc2ccc(F)cc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP6 P51161 1/20 0.41
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
PKM P14618 1/20 0.38
CYP2C19 P33261 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
NOTUM Q6P988 1/20 0.38
CYP19A1 P11511 1/20 0.38
MAOB P27338 7/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34

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
SCHEMBL6590831 0.86 MAOB (0.46) FABP6MAOBCA1CA2CA7
SCHEMBL10623756 0.79 CASP1 (0.38) MEN1NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL6590057 0.78
SCHEMBL3152242 0.76 MEN1 (0.59) FABP6MEN1NPC1CYP1A2CYP2C9
SCHEMBL7218336 0.73 ALDH1A1 (0.46) MEN1NPC1CYP1A2RAB9AKMT2A
SCHEMBL1553785 0.73 MAOB (0.42) NPC1PKMRAB9AHSD17B10CYP19A1
SCHEMBL10966821 0.70 FABP6 (0.47) FABP6MEN1NPC1CYP1A2CYP2C9
SCHEMBL1987511 0.69 FABP6 (0.42) FABP6MEN1NPC1CYP1A2CYP2C9
SCHEMBL769330 0.69 FABP6 (0.58) FABP6MEN1NPC1CYP1A2CYP2C9
SCHEMBL5642473 0.67 MAOB (0.48) FABP6MEN1NPC1RAB9AKMT2A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1040108-B1 ORTHO-ANTHRANILAMIDE DERIVATIVES AS ANTI-COAGULANTS SCHERING AG (DE) 2004-02-25 EP disclosed
US-6498185-B1 ENZYME FACTOR XA INHIBITORS BERLEX LABORATORIES, INC. 2002-12-24 US disclosed
US-6380221-B1 FOR THERAPY OF DISEASE-STATES CHARACTERIZED BY THROMBOTIC ACTIVITY BERLEX LABORATORIES, INC. 2002-04-30 US disclosed
US-6140351-A FOR TREATING THROMBOSIS BERLEX LABORATORIES, INC. (US) 2000-10-31 US disclosed
EP-1040108-A1 ORTHO-ANTHRANILAMIDE DERIVATIVES AS ANTI-COAGULANTS SCHERING AKTIENGESELLSCHAFT (DE) 2000-10-04 EP disclosed
WO-1999032477-A1 ORTHO-ANTHRANILAMIDE DERIVATIVES AS ANTI-COAGULANTS SCHERING AKTIENGESELLSCHAFT (DE) 1999-07-01 WO disclosed