SCHEMBL5814537

SCHEMBL5814537

c1ccc(N(c2ccccc2)c2nc3ccccc3[nH]2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.59
CYP1A2 P05177 1/20 0.59
CYP2D6 P10635 1/20 0.59
CYP2C19 P33261 1/20 0.59
POLB P06746 3/20 0.51
ALDH1A1 P00352 5/20 0.50
NPC1 O15118 5/20 0.50
RAB9A P51151 5/20 0.50
KDM4E B2RXH2 3/20 0.50
PKM P14618 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
NPSR1 Q6W5P4 2/20 0.50
ABCB11 O95342 1/20 0.50
TP53 P04637 1/20 0.50
HSD17B10 Q99714 1/20 0.50
HPGD P15428 2/20 0.49
MCL1 Q07820 1/20 0.49
BCHE P06276 2/20 0.49
ACHE P22303 1/20 0.49
GAA P10253 2/20 0.48

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
SCHEMBL27397925 0.96 LMNA (0.59) LMNACYP1A2CYP2D6CYP2C19POLB
SCHEMBL22227972 0.88 LMNA (0.61) LMNACYP1A2CYP2D6CYP2C19POLB
SCHEMBL18698150 0.84 LMNA (0.48) LMNACYP1A2CYP2D6CYP2C19POLB
SCHEMBL17150252 0.84 LMNA (0.51) LMNACYP1A2CYP2D6CYP2C19POLB
SCHEMBL18698136 0.84 LMNA (0.48) LMNACYP1A2CYP2D6CYP2C19POLB
SCHEMBL27398015 0.83 NPC1 (0.49) LMNACYP1A2CYP2D6CYP2C19POLB
SCHEMBL8573940 0.81 LMNA (0.51) LMNACYP1A2CYP2D6CYP2C19POLB
SCHEMBL11303623 0.81 LMNA (0.56) LMNACYP1A2CYP2D6CYP2C19POLB
SCHEMBL18687134 0.80 LMNA (0.43) LMNACYP1A2CYP2D6CYP2C19POLB
SCHEMBL6622313 0.79 POLB (0.60) LMNACYP1A2CYP2D6CYP2C19POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1635821-A2 4-BROMO-5-(2-CHLORO-BENZOYLAMINO)-1H-PYRAZOLE-3-CARBOXYLIC ACID (PHENYL)AMIDE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ B1 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES Elan Pharmaceuticals, Inc. (US) 2006-03-22 EP claimed
WO-2004099155-A2 4-BROMO-5-(2-CHLORO-BENZOYLAMINO)-1H-PYRAZOLE-3-CARBOXYLIC ACID (PHENYL) AMIDE DERIVATES AND RELATED COMPOUNDS AS BRADYKININ B1 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMATORY DISEASES ELAN PHARMACEUTICALS, INC. (US) 2004-11-18 WO claimed