SCHEMBL11666642

SCHEMBL11666642

N#Cc1ccc(-c2c([N+](=O)[O-])oc3ccccc23)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TNKS O95271 2/20 0.51
▸ LMNA P02545 3/20 0.41
▸ PARP1 P09874 1/20 0.41
▸ CSNK2A2 P19784 1/20 0.41
▸ CSNK2B P67870 1/20 0.41
▸ CSNK2A1 P68400 1/20 0.41
▸ TNKS2 Q9H2K2 1/20 0.41
▸ PARP2 Q9UGN5 1/20 0.41
▸ MAPT P10636 4/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ HNF4A P41235 2/20 0.40
▸ ALDH1A1 P00352 3/20 0.39
▸ ATM Q13315 1/20 0.39
▸ PTGS2 P35354 3/20 0.39
▸ PTGS1 P23219 1/20 0.39
▸ CYP19A1 P11511 1/20 0.38
▸ HTT P42858 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ POLB P06746 1/20 0.38

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
SCHEMBL7274704 0.85 MAPT (0.46) TNKSLMNAPARP1CSNK2A2CSNK2B
SCHEMBL11637588 0.83 ALDH1A1 (0.40) TNKSMAPTMEN1KMT2AALDH1A1
SCHEMBL11640222 0.83 FASN (0.42) TNKSMAPTMEN1KMT2AHNF4A
SCHEMBL11457320 0.82 LMNA (0.47) TNKSLMNAPARP1CSNK2A2CSNK2B
SCHEMBL11497962 0.82 ALDH1A1 (0.39) TNKSLMNAPARP1CSNK2A2CSNK2B
SCHEMBL11552764 0.80 MAPT (0.43) TNKSLMNAPARP1CSNK2A2CSNK2B
SCHEMBL11465464 0.79 TNKS (0.50) TNKSPARP1CSNK2A2CSNK2BCSNK2A1
SCHEMBL11547143 0.79 HNF4A (0.44) TNKSLMNAPARP1CSNK2A2CSNK2B
SCHEMBL10759258 0.79 TNKS (0.40) TNKSLMNAPARP1CSNK2A2CSNK2B
SCHEMBL11623296 0.79 VCAM1 (0.38) TNKSMAPTMEN1KMT2AALDH1A1

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
US-4124602-A OPTIONALLY SUBSTITUTED 3-(CYANOPHENYL)BENZOFURANS RIKER LABORATORIES, INC. (US) 1978-11-07 — — US disclosed
US-4048323-A Antimicrobial (2-nitro-3-benzofuranyl)-benzoic acids RIKER LABORATORIES, INC. (US) 1977-09-13 — — US disclosed
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