Benzene

Benzene

SCHEMBL28324907

Cc1csc(C)n1.c1ccccc1

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
RAB9A P51151 2/20 0.47
GAA P10253 1/20 0.47
KMT2A Q03164 1/20 0.47
GRM5 P41594 5/20 0.45
PDE10A Q9Y233 1/20 0.41
NPC1 O15118 1/20 0.40
ECE1 P42892 1/20 0.40
CYP2E1 P05181 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2A6 P11509 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2B6 P20813 1/20 0.39
SLC6A3 Q01959 1/20 0.39
TSHR P16473 1/20 0.38
RECQL P46063 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
SCHEMBL2487462 0.94
SCHEMBL128316 0.94
Ammonia Solution, Strong SCHEMBL28692741 0.92
Iodide SCHEMBL27887241 0.92
Bromide SCHEMBL27485582 0.92
Hydrochloric Acid SCHEMBL11308925 0.92
Hydrochloric Acid SCHEMBL241181 0.89 SMN1; SMN2 (0.50) NOS1SMN1; SMN2RAB9AGAAKMT2A
Hydrochloric Acid SCHEMBL17080156 0.89
Biphenyl SCHEMBL9392331 0.89 GRM5 (0.54) NOS1SMN1; SMN2RAB9AGAAKMT2A
Formamide SCHEMBL16109412 0.80 SMN1; SMN2 (0.48) NOS1SMN1; SMN2RAB9AGAAGRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110381917-A Use of compatible solutes 默克专利股份有限公司 2019-10-25 CN disclosed