Benzene

Benzene

SCHEMBL28458351

C=Cc1ccc([N+](=O)[O-])cc1.c1ccccc1

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.56
▸ LMNA P02545 1/20 0.56
▸ APP P05067 1/20 0.55
▸ FBP1 P09467 2/20 0.53
▸ CYP19A1 P11511 1/20 0.52
▸ NPC1 O15118 1/20 0.50
▸ MAPT P10636 1/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ BCHE P06276 1/20 0.50
▸ MAOB P27338 1/20 0.50
▸ L3MBTL1 Q9Y468 2/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ CRHBP P24387 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ ATM Q13315 1/20 0.48
▸ CRHR2 Q13324 1/20 0.48
▸ TLR9 Q9NR96 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ ALOX12 P18054 1/20 0.48
▸ TSHR P16473 1/20 0.48

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
Benzene SCHEMBL28468265 1.00 ALDH1A1 (0.56) ALDH1A1LMNAAPPFBP1CYP19A1
SCHEMBL125083 0.96 APP (0.59) ALDH1A1LMNAAPPFBP1CYP19A1
SCHEMBL28587124 0.96 APP (0.59) ALDH1A1LMNAAPPFBP1CYP19A1
Water SCHEMBL20553645 0.93 APP (0.57) ALDH1A1LMNAAPPFBP1CYP19A1
Ethylene SCHEMBL28539188 0.93 APP (0.57) ALDH1A1LMNAAPPFBP1CYP19A1
Hydrogen Sulfide SCHEMBL28134384 0.93 APP (0.57) ALDH1A1LMNAAPPFBP1CYP19A1
SCHEMBL28471601 0.91 CYP19A1 (0.62) ALDH1A1LMNAAPPFBP1CYP19A1
SCHEMBL8838444 0.89 APP (0.53) ALDH1A1LMNAAPPFBP1CYP19A1
SCHEMBL5327577 0.89 APP (0.64) APPFBP1CYP19A1NPC1MAPT
SCHEMBL5327584 0.89 APP (0.64) APPFBP1CYP19A1NPC1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111732929-B Cyanate ester adhesive with low curing temperature and high thermal stability and preparation method thereof 遂宁立讯精密工业有限公司 2022-04-12 — — CN claimed
CN-111732929-A Cyanate ester adhesive with low curing temperature and high thermal stability and preparation method thereof 遂宁立讯精密工业有限公司 2020-10-02 — — CN claimed
CN-111732929-B Cyanate ester adhesive with low curing temperature and high thermal stability and preparation method thereof 遂宁立讯精密工业有限公司 2022-04-12 — — CN disclosed
CN-111732929-A Cyanate ester adhesive with low curing temperature and high thermal stability and preparation method thereof 遂宁立讯精密工业有限公司 2020-10-02 — — CN disclosed
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