SCHEMBL7820437

SCHEMBL7820437

CCOC(=O)Oc1cccc2[nH]c(-c3cccc([N+](=O)[O-])c3)nc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 2/20 0.51
MMP2 P08253 1/20 0.51
MMP9 P14780 1/20 0.51
MMP8 P22894 1/20 0.51
MAPT P10636 7/20 0.49
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
HTT P42858 3/20 0.49
RAB9A P51151 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
NPBWR1 P48145 2/20 0.46
PARP1 P09874 2/20 0.45
ALDH1A1 P00352 4/20 0.45
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
ALOX5 P09917 1/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43

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
SCHEMBL7815539 0.90 PARP1 (0.57) MMP13MMP2MMP9MMP8MAPT
SCHEMBL3574922 0.84 PARP1 (0.56) MMP13MMP2MMP9MMP8MAPT
SCHEMBL6581039 0.82 MAPT (0.51) MMP13MMP2MMP9MMP8MAPT
SCHEMBL6591471 0.80 PKN1 (0.56) RAB9ASMN1; SMN2PARP1ALDH1A1ALOX5
SCHEMBL7474098 0.77 PARP1 (0.44) MAPTRAB9ASMN1; SMN2PARP1ALDH1A1
SCHEMBL6581316 0.76 MAP4K4 (0.55) PARP1
SCHEMBL30823383 0.74 PARP1 (0.78) PARP1
SCHEMBL3581539 0.74 PARP1 (0.60) MMP13MMP2MMP9MMP8MAPT
SCHEMBL7991863 0.73 MAPT (0.52) MMP13MMP2MMP9MMP8MAPT
SCHEMBL3580402 0.73 PARP1 (0.69) MMP2MMP9MMP8MAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1391457-B1 Substituted 2-Phenylbenzimidazoles and their use as PARP inhibitors ABBVIE DEUTSCHLAND (DE) 2013-12-25 EP disclosed
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