Benzene

Benzene

SCHEMBL28322799

O=C(O)CSc1nc2ccccc2s1.c1ccccc1

nearest known ligand 0.79

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 3/20 0.79
▸ APEX1 P27695 1/20 0.79
▸ RECQL P46063 1/20 0.79
▸ MAPT P10636 3/20 0.75
▸ SMN1; SMN2 Q16637 5/20 0.73
▸ HPGD P15428 4/20 0.73
▸ ALDH1A1 P00352 4/20 0.73
▸ MAPK1 P28482 3/20 0.73
▸ HSD17B10 Q99714 3/20 0.73
▸ TSHR P16473 1/20 0.73
▸ ALOX5 P09917 1/20 0.68
▸ CYP1A2 P05177 3/20 0.65
▸ CYP2D6 P10635 2/20 0.65
▸ CYP3A4 P08684 2/20 0.65
▸ CYP2C19 P33261 2/20 0.65
▸ HIF1A Q16665 1/20 0.65
▸ L3MBTL1 Q9Y468 1/20 0.65
▸ NPC1 O15118 4/20 0.63
▸ RAB9A P51151 3/20 0.63
▸ MEN1 O00255 2/20 0.62

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
SCHEMBL1286369 1.00 POLB (0.79) POLBAPEX1RECQLMAPTSMN1; SMN2
SCHEMBL13629728 0.86 MAPT (1.00) POLBAPEX1RECQLMAPTSMN1; SMN2
SCHEMBL5401249 0.86 POLB (0.77) POLBAPEX1RECQLMAPTSMN1; SMN2
SCHEMBL2261407 0.86 POLB (0.77) POLBAPEX1RECQLMAPTSMN1; SMN2
SCHEMBL10759553 0.84 POLB (0.75) POLBAPEX1RECQLMAPTSMN1; SMN2
SCHEMBL28511433 0.84 FBP1 (0.63) POLBAPEX1RECQLMAPTSMN1; SMN2
SCHEMBL144880 0.84 SMN1; SMN2 (1.00) POLBAPEX1RECQLMAPTSMN1; SMN2
SCHEMBL29367809 0.84 SMN1; SMN2 (1.00) POLBAPEX1RECQLMAPTSMN1; SMN2
SCHEMBL29229036 0.83 SMN1; SMN2 (0.97) POLBAPEX1RECQLMAPTSMN1; SMN2
SCHEMBL13461102 0.83 POLB (0.83) POLBAPEX1RECQLMAPTSMN1; SMN2

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-106574387-B Copper-nickel alloy electroplating bath 迪普索股份公司 2019-10-18 — — CN disclosed
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