SCHEMBL6841560

SCHEMBL6841560

C=Cc1ccc(NC(=O)c2cc(Cl)ccc2N(C=O)c2ccc(C=NN(C)C)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.42
NPC1 O15118 1/20 0.42
AHR P35869 1/20 0.42
ALDH1A1 P00352 5/20 0.39
MAPT P10636 4/20 0.39
GAA P10253 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
P2RX1 P51575 3/20 0.37
F10 P00742 1/20 0.36
TMPRSS4 Q9NRS4 3/20 0.35
P2RX4 Q99571 1/20 0.35
P2RX7 Q99572 1/20 0.35
KDM4E B2RXH2 3/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
GPR27 Q9NS67 2/20 0.35
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
JAK2 O60674 1/20 0.33

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
SCHEMBL5529583 0.91 ALDH1A1 (0.43) POLBNPC1AHRALDH1A1MAPT
SCHEMBL5534188 0.89 NPC1 (0.39) POLBNPC1AHRALDH1A1MAPT
SCHEMBL5540990 0.89 ALDH1A1 (0.39) POLBNPC1AHRALDH1A1MAPT
SCHEMBL5528201 0.88 F10 (0.46) POLBNPC1AHRALDH1A1MAPT
SCHEMBL5532923 0.88 NPC1 (0.38) POLBNPC1AHRALDH1A1MAPT
SCHEMBL5527895 0.88 NPC1 (0.42) POLBNPC1AHRALDH1A1MAPT
SCHEMBL5534028 0.84 ALDH1A1 (0.37) POLBNPC1AHRALDH1A1MAPT
SCHEMBL5553907 0.80 F10 (0.47) POLBNPC1ALDH1A1MAPTGAA
SCHEMBL5530351 0.80 F10 (0.36) POLBNPC1AHRALDH1A1MAPT
SCHEMBL5536642 0.80 F10 (0.41) F10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1373194-A1 BENZAMIDE INHIBITORS OF FACTOR Xa Millennium Pharmaceuticals, Inc. (US) 2004-01-02 EP claimed
WO-2002079145-A1 BENZAMIDE INHIBITORS OF FACTOR Xa MILLENNIUM PHARMACEUTICALS, INC. (US) 2002-10-10 WO claimed
EP-1373194-A1 BENZAMIDE INHIBITORS OF FACTOR Xa Millennium Pharmaceuticals, Inc. (US) 2004-01-02 EP disclosed
WO-2002079145-A1 BENZAMIDE INHIBITORS OF FACTOR Xa MILLENNIUM PHARMACEUTICALS, INC. (US) 2002-10-10 WO disclosed