Sugi Predict

Sugi Predict / Compounds / Benzene

Benzene

Benzene

SCHEMBL7253583

CC(C)c1ccc2c3c(ccc2c1)OC(c1ccc(N(C)C)cc1)(c1ccc(N(C)C)cc1)C=C3.c1ccccc1

nearest known ligand 0.36

Full drug profile on Sugi Atlas →

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 1/20 0.36
▸ HTT P42858 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ HIF1A Q16665 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30

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 SCHEMBL7241926 0.89 KDM1A (0.34) KDM1A
SCHEMBL7253577 0.87 MMP9 (0.35) HTTSMN1; SMN2ALDH1A1HIF1ATDP1
Benzene SCHEMBL7254417 0.84 AKR1C3 (0.34) HTTSMN1; SMN2HIF1ATDP1
SCHEMBL7119512 0.82 KDM1A (0.39) KDM1AHTTSMN1; SMN2ALDH1A1CYP3A4
SCHEMBL7241920 0.79 MMP9 (0.31) —
SCHEMBL4670884 0.79 KDM1A (0.35) KDM1AHTTSMN1; SMN2ALDH1A1HPGD
SCHEMBL4670918 0.76 — —
Benzene SCHEMBL7241108 0.75 LMNA (0.31) HTTSMN1; SMN2ALDH1A1HPGDTDP1
SCHEMBL7523714 0.73 HTT (0.32) HTTSMN1; SMN2ALDH1A1HPGD
SCHEMBL20565609 0.72 KDM4E (0.31) HTTSMN1; SMN2ALDH1A1HPGD

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
US-6627121-B1 Plastic lenses; high optical density on photoactivation; high fatigue resistance; fast decoloration in dark YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2003-09-30 — — US claimed