SCHEMBL7813883

SCHEMBL7813883

NNC(=O)Oc1cccc2[nH]c(-c3ccc([N+](=O)[O-])cc3)nc12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 8/20 0.62
MMP2 P08253 3/20 0.50
MMP9 P14780 3/20 0.50
MMP8 P22894 3/20 0.50
TNKS O95271 3/20 0.49
TNKS2 Q9H2K2 3/20 0.49
PARP2 Q9UGN5 1/20 0.49
HPSE Q9Y251 2/20 0.48
PKN1 Q16512 1/20 0.45
PKN2 Q16513 1/20 0.45
NPC1 O15118 2/20 0.44
MAPT P10636 2/20 0.44
CASP3 P42574 2/20 0.44
MMP13 P45452 2/20 0.44
RAB9A P51151 2/20 0.44
SENP8 Q96LD8 2/20 0.44
SENP7 Q9BQF6 2/20 0.44
SENP6 Q9GZR1 2/20 0.44
HTT P42858 1/20 0.44
CHEK2 O96017 2/20 0.44

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
SCHEMBL6581039 0.89 MAPT (0.51) PARP1MMP2MMP9MMP8HPSE
SCHEMBL6585358 0.83 PKN1 (0.58) PARP1PARP2HPSEPKN1PKN2
SCHEMBL7815539 0.81 PARP1 (0.57) PARP1MMP2MMP9MMP8TNKS
SCHEMBL28425038 0.80 TNKS (0.72) PARP1MMP2MMP9MMP8TNKS
SCHEMBL7319465 0.77 PARP1 (1.00) PARP1PARP2PKN1PKN2CHEK2
SCHEMBL29411909 0.77 PARP1 (1.00) PARP1PARP2PKN1PKN2CHEK2
SCHEMBL6582804 0.76 HPSE (0.47) PARP1PARP2HPSEPKN1PKN2
SCHEMBL7484761 0.76 HPSE (0.43) PARP1HPSEPKN1PKN2DHODH
SCHEMBL6584459 0.74 MAP4K4 (0.69) PARP1HPSEPKN2DHODHPLA2G2A
SCHEMBL6330691 0.74 PARP1 (0.70) PARP1MMP2MMP9MMP8TNKS

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-1127052-A1 SUBSTITUTED 2-PHENYLBENZIMIDAZOLES, THE PRODUCTION THEREOF AND THEIR USE BASF AKTIENGESELLSCHAFT (DE) 2001-08-29 EP disclosed
WO-2000026192-A1 SUBSTITUTED 2-PHENYLBENZIMIDAZOLES, THE PRODUCTION THEREOF AND THEIR USE BASF AKTIENGESELLSCHAFT (DE) 2000-05-11 WO disclosed