Benzene

Benzene

SCHEMBL9714013

CCOC1=C(Cl)C(=O)c2ccccc2C1=O.c1ccccc1

nearest known ligand 0.58

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 4/20 0.58
HSP90AA1 P07900 3/20 0.58
HKDC1 Q2TB90 3/20 0.58
TLR9 Q9NR96 3/20 0.58
IDO1 P14902 1/20 0.54
DNMT1 P26358 1/20 0.54
DNMT3L Q9UJW3 1/20 0.54
DNMT3A Q9Y6K1 1/20 0.54
MAPT P10636 8/20 0.50
TDP1 Q9NUW8 5/20 0.50
LMNA P02545 5/20 0.50
MAPK1 P28482 5/20 0.50
NPSR1 Q6W5P4 4/20 0.50
ALDH1A1 P00352 4/20 0.50
KDM4E B2RXH2 4/20 0.50
HTT P42858 3/20 0.50
POLB P06746 2/20 0.50
CDC25B P30305 2/20 0.50
MITF O75030 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50

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
SCHEMBL10446464 0.98 IDO1 (0.56) NSD2HSP90AA1HKDC1TLR9IDO1
SCHEMBL11129631 0.87 MAPT (0.47) NSD2HSP90AA1HKDC1TLR9IDO1
SCHEMBL10705446 0.86 PTPN1 (0.55) NSD2HSP90AA1HKDC1TLR9IDO1
SCHEMBL10865964 0.84 NSD2 (0.45) NSD2HSP90AA1HKDC1TLR9IDO1
SCHEMBL10707493 0.84 PTPN1 (0.61) NSD2HSP90AA1HKDC1TLR9IDO1
SCHEMBL3420371 0.84 CDC25B (0.60) NSD2MAPTTDP1LMNAMAPK1
SCHEMBL10446166 0.80 IDO1 (0.52) NSD2HSP90AA1HKDC1TLR9IDO1
SCHEMBL10737111 0.80 IDO1 (0.52) NSD2HSP90AA1HKDC1TLR9IDO1
SCHEMBL12137192 0.80 PTPRC (0.35) NSD2HSP90AA1MAPTTDP1LMNA
Benzene SCHEMBL9713962 0.79 MAPT (0.69) NSD2IDO1MAPTTDP1LMNA

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
US-5091558-A Topical administeration SYNTEX (U.S.A.) INC. (US) 1992-02-25 US disclosed
EP-0150831-B1 NAPHTHALENE ANTI-PSORIATIC AGENTS SYNTEX (U.S.A.) INC. (US) 1988-08-10 EP disclosed
EP-0150831-A2 Naphthalene anti-psoriatic agents SYNTEX (U.S.A.) INC. (US) 1985-08-07 EP disclosed