SCHEMBL7854331

SCHEMBL7854331

Cc1cccc2[nH]c(-c3cccc(NCCCN)c3)nc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 11/20 0.58
GAA P10253 11/20 0.58
SI P14410 11/20 0.58
MGAM2 Q2M2H8 11/20 0.58
MMP2 P08253 2/20 0.54
MMP9 P14780 2/20 0.54
MMP8 P22894 2/20 0.54
MMP13 P45452 1/20 0.54
VSIR Q9H7M9 2/20 0.49
HPSE Q9Y251 2/20 0.48
KDM4E B2RXH2 1/20 0.47
NPC1 O15118 1/20 0.47
ALDH1A1 P00352 1/20 0.47
TP53 P04637 1/20 0.47
HPGD P15428 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HSD17B10 Q99714 1/20 0.47
CYP3A4 P08684 1/20 0.46
PARP1 P09874 1/20 0.46

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
SCHEMBL7133552 0.82 PARP1 (0.61) PARP1
SCHEMBL6380062 0.80 PARP1 (0.44) MMP2MMP9MMP8MMP13HPSE
SCHEMBL7134704 0.75 PARP1 (0.64) PARP1
SCHEMBL5652419 0.74 HPSE (0.57) MGAMGAASIMGAM2VSIR
SCHEMBL6384304 0.73 PARP1 (0.45) MMP2MMP9MMP8HPSETP53
SCHEMBL7861258 0.72 VSIR (0.60) MGAMGAASIMGAM2MMP2
SCHEMBL5074029 0.72 MGAM (0.76) MGAMGAASIMGAM2HPSE
SCHEMBL30615069 0.72 MGAM (0.76) MGAMGAASIMGAM2HPSE
SCHEMBL7047918 0.72 MGAM (0.68) MGAMGAASIMGAM2HPSE
SCHEMBL6378306 0.71 PIM1 (0.49) MMP2MMP9MMP8MMP13HPSE

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-1131301-A1 2-PHENYLBENZIMIDAZOLES AND 2-PHENYLINDOLES, AND PRODUCTION AND USE THEREOF BASF AKTIENGESELLSCHAFT (DE) 2001-09-12 EP disclosed
WO-2000029384-A1 2-PHENYLBENZIMIDAZOLES AND 2-PHENYLINDOLES, AND PRODUCTION AND USE THEREOF BASF AKTIENGESELLSCHAFT (DE) 2000-05-25 WO disclosed