Benzene

Benzene

SCHEMBL6493686

OCCCCl.c1ccccc1

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
TSHR P16473 3/20 0.40
TDP1 Q9NUW8 3/20 0.40
CAMK2A Q9UQM7 1/20 0.33
RECQL P46063 1/20 0.32
LTA4H P09960 1/20 0.31
EPHX2 P34913 1/20 0.31
GPR84 Q9NQS5 1/20 0.30
FFAR1 O14842 1/20 0.30
FFAR4 Q5NUL3 1/20 0.30
SMN1; SMN2 Q16637 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
3-Chloropropanol SCHEMBL19178 0.89
3-Chloropropanol SCHEMBL17028869 0.89 TSHR (0.50) ALDH1A1TSHRTDP1CAMK2ASMN1; SMN2
3-Chloropropanol SCHEMBL30626520 0.85
3-Chloropropanol SCHEMBL28474832 0.85
3-Chloropropanol SCHEMBL28829619 0.85
3-Chloropropanol SCHEMBL31197932 0.85
3-Chloropropanol SCHEMBL28742500 0.85
3-Chloropropanol SCHEMBL1653575 0.85
Pyridine SCHEMBL28605481 0.84 TSHR (0.45) ALDH1A1TSHRTDP1
Phenol SCHEMBL11850266 0.82 TDP1 (0.52) ALDH1A1TSHRTDP1RECQLLTA4H

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-6897231-B2 Indazole derivatives as JNK inhibitors and compositions and methods related thereto SIGNAL PHARMACEUTICALS, INC. (US) 2005-05-24 US disclosed