SCHEMBL7640171

SCHEMBL7640171

C=CC(Cl)Sc1ccc(SC(Cl)C=C)cc1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 2/20 0.32
▸ HPGD P15428 1/20 0.32
▸ CYP2C9 P11712 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ MMP2 P08253 1/20 0.30
▸ MMP8 P22894 1/20 0.30
▸ MMP14 P50281 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
SCHEMBL11774543 0.68 HTR7 (0.37) —
SCHEMBL8779795 0.67 CYP2C9 (0.37) HSD17B10CYP2C9CYP2C19MMP2MMP8
SCHEMBL27949553 0.67 ALDH1A1 (0.33) —
SCHEMBL7698584 0.64 — —
SCHEMBL28518525 0.64 CHRNA7 (0.35) —
SCHEMBL7184387 0.62 SMN1; SMN2 (0.39) HSD17B10HPGDCYP2C9CYP2C19
SCHEMBL8779780 0.61 NR1H2 (0.41) HSD17B10HPGDCYP2C9CYP2C19MMP2
SCHEMBL3896041 0.59 HSD17B10 (0.52) HSD17B10HPGDCYP2C9CYP2C19MMP2
SCHEMBL16914542 0.59 — —
SCHEMBL9331396 0.59 MAPT (0.36) HSD17B10HPGDCYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0770599-B1 PROCESS FOR THE PREPARATION OF AROMATIC OR HETEROAROMATIC SULFONYL HALIDES SUMITOMO SEIKA CHEMICALS (JP) 2002-08-07 — — EP disclosed
US-5811571-A HALOGENATING AN AROMATIC OR HETEROAROMATIC METHYL SULFIDE OR METHYL SULFOXIDE IN PRESENCE OF WATER SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 1998-09-22 — — US disclosed
EP-0770599-A1 PROCESS FOR THE PREPARATION OF AROMATIC OR HETEROAROMATIC SULFONYL HALIDES SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 1997-05-02 — — EP disclosed
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