SCHEMBL7366377

SCHEMBL7366377

Cc1nc(-c2ccc3ccc(CBr)cc3c2)no1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.53
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA9 Q16790 2/20 0.42
PLK1 P53350 1/20 0.41
MPO P05164 1/20 0.41
FBP1 P09467 1/20 0.41
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
RAB9A P51151 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
TSHR P16473 2/20 0.38
MAPK1 P28482 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
LMNA P02545 2/20 0.38
NPC1 O15118 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38

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
SCHEMBL704133 0.84 L3MBTL1 (0.53) L3MBTL1CA12CA1CA2CA9
SCHEMBL1301049 0.82 L3MBTL1 (0.70) L3MBTL1RAB9ASMN1; SMN2TSHRMAPK1
SCHEMBL7996145 0.80 L3MBTL1 (0.61) L3MBTL1CA12CA1CA2CA9
SCHEMBL7411441 0.79 L3MBTL1 (0.71) L3MBTL1RAB9ASMN1; SMN2TSHRMAPK1
SCHEMBL7999728 0.76 PLA2G2A (0.42) FBP1SMN1; SMN2TSHRLMNAALDH1A1
SCHEMBL2055354 0.75 L3MBTL1 (0.59) L3MBTL1CA12CA1CA2CA9
SCHEMBL7604286 0.74 L3MBTL1 (0.62) L3MBTL1CA12CA1CA2CA9
SCHEMBL23667729 0.73 L3MBTL1 (0.53) L3MBTL1CA12CA1CA2CA9
SCHEMBL7427014 0.73 L3MBTL1 (0.45) L3MBTL1CA12CA1CA2CA9
SCHEMBL7996346 0.73 L3MBTL1 (0.45) L3MBTL1MPORAB9ASMN1; SMN2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6492384-B1 Imidazo (4,5-C) pyridine-4-one derivatives with factor XA inhibiting effect MERCK PATENT GMBH (DE) 2002-12-10 US disclosed
EP-1157010-A1 PYRAZOLE-3-ON-DERIVATIVE AS FACTOR XA INHIBITORS MERCK PATENT GmbH (DE) 2001-11-28 EP disclosed
EP-1117664-A1 IMIDAZO[4,5-C-]-PYRIDINE-4-ONE DERIVATIVES WITH FACTOR XA INHIBITING EFFECT MERCK PATENT GmbH (DE) 2001-07-25 EP disclosed
WO-2001051484-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS FACTOR XA INHIBITORS MERCK PATENT GMBH (DE) 2001-07-19 WO disclosed
EP-1107954-A1 2-OXO-$i(2H)-QUINOLINE DERIVATIVES MERCK PATENT GmbH (DE) 2001-06-20 EP disclosed
WO-2000051989-A1 PYRAZOLE-3-ON-DERIVATIVE AS FACTOR XA INHIBITORS MERCK PATENT GMBH (DE) 2000-09-08 WO disclosed
WO-2000020416-A1 IMIDAZO[4,5-C-]-PYRIDINE-4-ONE DERIVATIVES WITH FACTOR XA INHIBITING EFFECT MERCK PATENT GMBH (DE) 2000-04-13 WO disclosed
WO-2000012479-A1 2-OXO-2H-QUINOLINE DERIVATIVES MERCK PATENT GMBH (DE) 2000-03-09 WO disclosed