Benzene

Benzene

SCHEMBL28150775

O=CC(=O)C1c2ccccc2CN1c1ccccc1.c1ccccc1

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACE P12821 8/20 0.42
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
CAMK2A Q9UQM7 1/20 0.35
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
HSP90AA1 P07900 2/20 0.32
HSP90AB1 P08238 2/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HTT P42858 1/20 0.32
TFPI2 P48307 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
SCHEMBL28002392 1.00 ACE (0.42) ACECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL28056681 0.89 SLC6A2 (0.38) ACESLC6A2SLC6A4SLC6A3HSP90AA1
SCHEMBL28131035 0.88 FFAR1 (0.45) ACESMN1; SMN2HTT
SCHEMBL28002394 0.88 ACE (0.36) ACECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL28041236 0.81 ACE (0.36) ACEHSP90AA1HSP90AB1
SCHEMBL28234415 0.81 ACE (0.36) ACECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL27846951 0.80 SLC6A2 (0.37) ACESLC6A2SLC6A4SLC6A3SMN1; SMN2
SCHEMBL28281951 0.80 ACE (0.36) ACELMNASMN1; SMN2HTT
SCHEMBL27920541 0.80 ACE (0.41) ACEHSP90AA1HSP90AB1LMNASMN1; SMN2
SCHEMBL28361507 0.78 ACE (0.40) ACEHSP90AA1HSP90AB1LMNASMN1; 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-106661205-A Particulate amine-functionalized polyaryletherketone polymers and copolymers thereof 塞特工业公司 2017-05-10 CN disclosed