Benzene

Benzene

SCHEMBL4121719

O=c1c(O)c[nH]c2ccccc12.c1ccccc1

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 2/20 0.53
SMN1; SMN2 Q16637 3/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
ALDH1A1 P00352 3/20 0.50
MAPT P10636 3/20 0.50
KDM4E B2RXH2 3/20 0.50
GPR84 Q9NQS5 2/20 0.50
HPGD P15428 2/20 0.50
CYP3A4 P08684 1/20 0.48
AHR P35869 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
ATM Q13315 2/20 0.48
LMNA P02545 1/20 0.48
GLA P06280 1/20 0.48
GAA P10253 1/20 0.48
HTT P42858 1/20 0.48
SLC6A2 P23975 1/20 0.47
FNTA P49354 1/20 0.47
FNTB P49356 1/20 0.47

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
SCHEMBL2747487 0.98 GPR84 (0.52) CFTRSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL31739381 0.98 GPR84 (0.52) CFTRSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL155191 0.81 MEN1 (0.58) SMN1; SMN2MEN1KMT2AALDH1A1MAPT
SCHEMBL29567690 0.81 MEN1 (0.58) SMN1; SMN2MEN1KMT2AALDH1A1MAPT
SCHEMBL28624457 0.79 MEN1 (0.56) SMN1; SMN2MEN1KMT2AALDH1A1MAPT
Hydrochloric Acid SCHEMBL28628671 0.79 MEN1 (0.56) SMN1; SMN2MEN1KMT2AALDH1A1MAPT
Water SCHEMBL27616945 0.79 MEN1 (0.56) SMN1; SMN2MEN1KMT2AALDH1A1MAPT
Methane SCHEMBL5065725 0.79 MEN1 (0.56) SMN1; SMN2MEN1KMT2AALDH1A1MAPT
SCHEMBL10550137 0.79 MEN1 (0.56) SMN1; SMN2MEN1KMT2AALDH1A1MAPT
SCHEMBL27702719 0.79 MEN1 (0.56) SMN1; SMN2MEN1KMT2AALDH1A1MAPT

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-2064200-A1 DERIVATIVES OF 2-PHENYL-3-HYDROXYQUINOLINE-4(1H)-ONE AND METHODS OF THEIR PREPARATION AND UTILIZATION Univerzita Palackeho (CZ) 2009-06-03 EP disclosed
WO-2008028427-A1 DERIVATIVES OF 2-PHENYL-3-HYDROXYQUINOLINE-4(1H)-ONE AND METHODS OF THEIR PREPARATION AND UTILIZATION UNIVERZITA PALACKEHO (CZ) 2008-03-13 WO disclosed