SCHEMBL7434265

SCHEMBL7434265

Brc1ccccc1Oc1ccc2ccncc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.45
RCE1 Q9Y256 1/20 0.45
IKBKB O14920 3/20 0.43
CCNT1 O60563 1/20 0.40
PIM1 P11309 1/20 0.40
CDK9 P50750 1/20 0.40
HASPIN Q8TF76 1/20 0.40
CHUK O15111 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.40
NOTUM Q6P988 1/20 0.38
CYP3A4 P08684 1/20 0.38
SCN9A Q15858 1/20 0.38
LCK P06239 1/20 0.38
HAO1 Q9UJM8 1/20 0.38
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
KMT2A Q03164 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
SCHEMBL24731704 0.83 IKBKB (0.50) GAAIKBKBCCNT1PIM1CDK9
SCHEMBL890743 0.82 GAA (0.71) GAARCE1IKBKBMRGPRX4CYP3A4
SCHEMBL7384741 0.82 NOTUM (0.52) GAARCE1IKBKBNOTUMCYP3A4
SCHEMBL7376848 0.81 MAOA (0.43) GAARCE1IKBKBMRGPRX4NOTUM
SCHEMBL23501736 0.79 IKBKB (0.48) IKBKBHASPINMRGPRX4CYP3A4HAO1
SCHEMBL10145841 0.76 MAPT (0.49) GAAIKBKBMAPTLMNAHTT
SCHEMBL15201678 0.75 LCK (0.40) PIM1LCKKDM4ELMNAHTT
SCHEMBL26511137 0.74 TDP1 (0.48) IKBKBMRGPRX4CYP3A4PRKCZLMNA
SCHEMBL5332097 0.74 LMNA (0.53) LCKMEN1KMT2ALMNAHTT
SCHEMBL890873 0.72 GAA (0.49) GAARCE1IKBKBCYP3A4SCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001012600-A9 INHIBITORS OF FACTOR Xa COR THERAPEUTICS INC (US) 2002-09-12 WO disclosed
EP-1189879-A1 INHIBITORS OF FACTOR Xa COR THERAPEUTICS, INC. (US) 2002-03-27 EP disclosed
EP-1159264-A2 INHIBITORS OF FACTOR Xa COR THERAPEUTICS, INC. (US) 2001-12-05 EP disclosed
WO-2000071512-A1 INHIBITORS OF FACTOR Xa COR THERAPEUTICS, INC. (US) 2000-11-30 WO disclosed
WO-2000047554-A2 INHIBITORS OF FACTOR Xa COR THERAPEUTICS INC. (US) 2000-08-17 WO disclosed