SCHEMBL6506674

SCHEMBL6506674

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.52
ACHE P22303 1/20 0.52
LMNA P02545 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C19 P33261 1/20 0.50
GAA P10253 2/20 0.49
RAB9A P51151 6/20 0.47
NPC1 O15118 5/20 0.47
SMN1; SMN2 Q16637 4/20 0.45
TP53 P04637 2/20 0.45
HTT P42858 2/20 0.44
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
HSD17B10 Q99714 2/20 0.44
AR P10275 2/20 0.44
HPGD P15428 1/20 0.44
EGFR P00533 1/20 0.43
ERBB2 P04626 1/20 0.43
POLB P06746 1/20 0.42

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
SCHEMBL2673648 0.82 LMNA (0.63) BCHEACHELMNACYP1A2CYP2D6
SCHEMBL1667782 0.80 BCHE (0.51) BCHEACHELMNACYP1A2CYP2D6
SCHEMBL2674049 0.79 LMNA (0.55) BCHEACHELMNACYP1A2CYP2D6
SCHEMBL20677817 0.78 BCHE (0.73) BCHEACHELMNACYP1A2CYP2D6
SCHEMBL19058675 0.76 HDAC6 (0.62)
SCHEMBL5814537 0.76 LMNA (0.59) BCHEACHELMNACYP1A2CYP2D6
SCHEMBL6622313 0.74 POLB (0.60) BCHEACHELMNACYP1A2CYP2D6
SCHEMBL7337463 0.74 GAA (0.59) BCHELMNACYP1A2CYP2D6CYP2C19
SCHEMBL11303623 0.73 LMNA (0.56) BCHEACHELMNACYP1A2CYP2D6
SCHEMBL8573940 0.73 LMNA (0.51) BCHEACHELMNACYP1A2CYP2D6

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
WO-2018177860-A1 2-(4-(4-(BROMO-METHOXYBENZAMIDO)BENZYLAMINO)PHENYL)BENZAZOLE DERIVATIVES AND THEIR USE AS ANTI-HEPARANASE LEADIANT BIOSCIENCES SA IN LIQUIDAZIONE (CH) 2018-10-04 WO disclosed
EP-3381908-A1 2-(4-(4-(BROMO-METHOXYBENZAMIDO)BENZYLAMINO)PHENYL)BENZAZOLE DERIVATIVES AND THEIR USE AS ANTI-HEPARANASE Leadiant Biosciences SA (CH) 2018-10-03 EP disclosed
WO-2005042496-A1 (BENZIMIDAZOL-2-YL)-PHENYL-BENZYL-AMINE DERIVATIVES AND METHODS FOR INHIBITING HEPARANASE ACTIVITY IMCLONE SYSTEMS INCORPORATED (US) 2005-05-12 WO disclosed
WO-2005042496-A1 (BENZIMIDAZOL-2-YL)-PHENYL-BENZYL-AMINE DERIVATIVES AND METHODS FOR INHIBITING HEPARANASE ACTIVITY IMCLONE SYSTEMS INCORPORATED (US) 2005-05-12 WO disclosed