SCHEMBL8779782

SCHEMBL8779782

ClC(Cl)Sc1ccc2ccccc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.50
CYP2A6 P11509 6/20 0.44
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CYP1A2 P05177 3/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP3A4 P08684 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
ANPEP P15144 1/20 0.38
HAO1 Q9UJM8 1/20 0.38
MAP2K2 P36507 1/20 0.38
MAP2K1 Q02750 1/20 0.38
UGT2B7 P16662 1/20 0.38
BACE1 P56817 1/20 0.37
ALOX12 P18054 1/20 0.36

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
SCHEMBL8483853 0.89 EPHX1 (0.42) EPHX1CYP2A6LMNASMN1; SMN2CYP1A2
SCHEMBL5272958 0.77 EPHX1 (0.59) EPHX1CYP2A6CYP1A2ALDH1A1CYP3A4
SCHEMBL8779795 0.74 CYP2C9 (0.37) HSD17B10
SCHEMBL4640609 0.74 EPHX1 (0.61) EPHX1CYP2A6CYP1A2CYP3A4TDP1
SCHEMBL32662877 0.74 EPHX1 (0.61) EPHX1CYP2A6CYP1A2CYP3A4TDP1
SCHEMBL7003602 0.74 EPHX1 (0.51) EPHX1CYP2A6LMNASMN1; SMN2CYP1A2
SCHEMBL30484473 0.74 EPHX1 (0.47) EPHX1CYP2A6CYP1A2ALDH1A1CYP3A4
SCHEMBL30484476 0.74 EPHX1 (0.47) EPHX1CYP2A6CYP1A2ALDH1A1CYP3A4
SCHEMBL22446622 0.74 EPHX1 (0.56) EPHX1CYP2A6CYP1A2ALDH1A1CYP3A4
SCHEMBL10817326 0.73 CYP2A6 (0.50) EPHX1CYP2A6LMNASMN1; SMN2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0770599-A1 PROCESS FOR THE PREPARATION OF AROMATIC OR HETEROAROMATIC SULFONYL HALIDES SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 1997-05-02 EP disclosed
EP-0742201-A1 PROCESS FOR PRODUCING AROMATIC OR HETEROAROMATIC SULFUR COMPOUNDS SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 1996-11-13 EP disclosed