SCHEMBL7764862

SCHEMBL7764862

O=C1C(CS)CC(CS)N1Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EHMT2 Q96KQ7 1/20 0.47
TSHR P16473 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43
ALDH1A1 P00352 4/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SMO Q99835 2/20 0.40
MMP1 P03956 1/20 0.39
MMP3 P08254 1/20 0.39
MMP9 P14780 1/20 0.39
F2 P00734 1/20 0.38
PLG P00747 1/20 0.38
ELANE P08246 1/20 0.38
CTSG P08311 1/20 0.38
CMA1 P23946 1/20 0.38
CTRC Q99895 1/20 0.38
EP300 Q09472 1/20 0.37

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
SCHEMBL7766792 0.79 EHMT2 (0.42) EHMT2TSHRCYP3A4CYP2C19ALDH1A1
SCHEMBL7764939 0.75 EHMT2 (0.44) EHMT2TSHRCYP3A4CYP2C19ALDH1A1
SCHEMBL7762178 0.74 CRBN (0.46) EHMT2TSHRCYP3A4CYP2C19ALDH1A1
SCHEMBL7273849 0.72 TSHR (0.41) EHMT2TSHRCYP3A4CYP2C19ALDH1A1
SCHEMBL7283610 0.72 EHMT2 (0.41) EHMT2TSHRCYP3A4CYP2C19ALDH1A1
SCHEMBL7765831 0.71 ACE (0.44) EHMT2TSHRCYP3A4CYP2C19MEN1
SCHEMBL7766834 0.70 CYP2C19 (0.40) EHMT2TSHRCYP3A4CYP2C19ALDH1A1
SCHEMBL7765837 0.70 EHMT2 (0.39) EHMT2TSHRCYP3A4CYP2C19ALDH1A1
SCHEMBL7767518 0.68 CRBN (0.41) EHMT2TSHRCYP3A4CYP2C19ALDH1A1
SCHEMBL11776300 0.67 EHMT2 (0.58) EHMT2TSHRCYP3A4CYP2C19ALDH1A1

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-0639566-B1 CYCLIC COMPOUND SANTEN PHARMACEUTICAL CO LTD (JP) 2001-06-20 EP disclosed
US-5461158-A Immunodeficiency and autoimmune diseases SANTEN PHARMACEUTICAL CO., LTD. (JP) 1995-10-24 US disclosed
EP-0639566-A1 CYCLIC COMPOUND SANTEN PHARMACEUTICAL CO., LTD. (JP) 1995-02-22 EP disclosed