Benzene

Benzene

SCHEMBL2937772

Cc1ccccn1.c1ccccc1

nearest known ligand 0.94

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.48
LMNA P02545 2/20 0.48
P4HTM Q9NXG6 2/20 0.48
KDM4E B2RXH2 2/20 0.48
CYP1A2 P05177 1/20 0.48
POLB P06746 1/20 0.48
CCR1 P32246 1/20 0.48
CCR5 P51681 1/20 0.48
CCR8 P51685 1/20 0.48
METAP1 P53582 1/20 0.48
BLM P54132 1/20 0.48
HIF1A Q16665 1/20 0.48
DOHH Q9BU89 1/20 0.48
NOS3 P29474 2/20 0.44
NOS1 P29475 2/20 0.44
NOS2 P35228 2/20 0.44
NPC1 O15118 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
HSP90AA1 P07900 1/20 0.44
MEN1 O00255 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
SCHEMBL19540310 1.00 GRM5 (0.48) GRM5LMNAP4HTMKDM4ECYP1A2
Benzene SCHEMBL27712261 0.97 GRM5 (0.47) GRM5LMNAP4HTMKDM4ECYP1A2
Hydrogen Peroxide SCHEMBL9817846 0.97
SCHEMBL4733426 0.97 KDM4E (0.50) GRM5LMNAP4HTMKDM4ECYP1A2
SCHEMBL29472848 0.97
SCHEMBL16322907 0.97 KDM4E (0.50) GRM5LMNAP4HTMKDM4ECYP1A2
SCHEMBL2684 0.97
SCHEMBL29599136 0.97 KDM4E (0.50) GRM5LMNAP4HTMKDM4ECYP1A2
SCHEMBL25382981 0.94
SCHEMBL21528266 0.94

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117136217-A Isotropic bitumen compositions from aromatic feedstocks, process for their preparation and their use 埃克森美孚技术与工程公司 2023-11-28 CN disclosed
EP-1373209-B1 A PROCESS FOR THE SYNTHESIS OF AN ARYL PYRIDINE BASE USING A ZEOLITE CATALYST COUNCIL SCIENT IND RES (IN) 2010-09-22 EP disclosed
EP-1373209-A1 A PROCESS FOR THE SYNTHESIS OF AN ARYL PYRIDINE BASE USING A ZEOLITE CATALYST COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2004-01-02 EP disclosed
US-6492524-B1 SYNTHESIS OF AN ARYL PYRIDINE BASE SAID PROCESS COMPRISING REACTING AN AROMATIC ALDEHYDE OR KETONE OF THE FORMULA R.SUB.1 COR.SUB.2 WHEREIN R.SUB.1 IS PHENYL OR ALKYL PHENYL, R.SUB.2 IS ALKYL WITH 1 TO 2 CARBON ATOMS WITH AN ACROLEIN OR COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2002-12-10 US disclosed
WO-2002079161-A1 A PROCESS FOR THE SYNTHESIS OF AN ARYL PYRIDINE BASE USING A ZEOLITE CATALYST COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2002-10-10 WO disclosed