Benzene

Benzene

SCHEMBL28340915

CC(C#N)c1c[nH]c(-c2ccccc2)n1.c1ccccc1

nearest known ligand 0.35

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
CYP1A2 P05177 3/20 0.35
HPGD P15428 3/20 0.35
CYP2C9 P11712 2/20 0.35
MTOR P42345 1/20 0.33
ADK P55263 1/20 0.33
NISCH Q9Y2I1 1/20 0.33
KDM5A P29375 2/20 0.33
KDM6B O15054 1/20 0.33
KDM5C P41229 1/20 0.33
KDM5D Q9BY66 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
KDM5B Q9UGL1 1/20 0.33
PHF8 Q9UPP1 1/20 0.33
DCUN1D1 Q96GG9 2/20 0.33
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 1/20 0.33
CHUK O15111 1/20 0.32
PPARG P37231 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32

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
SCHEMBL79611 1.00 ALDH1A1 (0.35) ALDH1A1CYP1A2HPGDCYP2C9MTOR
SCHEMBL29236762 0.93 HPGD (0.31) ALDH1A1CYP1A2HPGDCYP2C9KDM5A
2-Phenylimidazole SCHEMBL16267718 0.89 NISCH (0.54) ALDH1A1CYP1A2CYP2C9MTORADK
Imidazole SCHEMBL27789676 0.87 MTOR (0.32) ALDH1A1MTORADKNISCH
SCHEMBL10701233 0.83 ALDH1A1 (0.34) ALDH1A1
SCHEMBL27393902 0.82 KDM4E (0.39) ALDH1A1HPGDKDM4EMEN1KMT2A
SCHEMBL4119540 0.81 KDM4E (0.40) ALDH1A1CYP1A2HPGDCYP2C9MTOR
SCHEMBL29236608 0.80 KDM5A (0.30) KDM5A
SCHEMBL10364021 0.78 KDM4E (0.38) ALDH1A1CYP1A2HPGDCYP2C9MTOR
SCHEMBL11304791 0.78 PIN1 (0.37) ALDH1A1CYP1A2HPGDCYP2C9MTOR

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-107428939-B Resin combination, bonding agent and sealant 纳美仕有限公司 2019-11-22 CN disclosed