SCHEMBL7765797

SCHEMBL7765797

C=C1CC(C(CC)(CC)SCc2ccccc2)N(Cc2ccccc2)C1=O

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.38
MEN1 O00255 4/20 0.38
EHMT2 Q96KQ7 1/20 0.35
HSD17B2 P37059 1/20 0.34
ALDH1A1 P00352 5/20 0.33
HSD17B10 Q99714 2/20 0.33
GAA P10253 2/20 0.32
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
TP53 P04637 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
PRMT1 Q99873 1/20 0.32

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
SCHEMBL7766819 0.85 MEN1 (0.36) KMT2AMEN1EHMT2HSD17B2ALDH1A1
SCHEMBL7764943 0.81 MEN1 (0.42) KMT2AMEN1ALDH1A1TP53
SCHEMBL7765650 0.78 MEN1 (0.45) KMT2AMEN1ALDH1A1HSD17B10HCRTR1
SCHEMBL7767457 0.78 EHMT2 (0.38) KMT2AMEN1EHMT2ALDH1A1HSD17B10
SCHEMBL7769361 0.76 CYP1A2 (0.40) KMT2AMEN1EHMT2HSD17B2ALDH1A1
SCHEMBL7769377 0.74 CRBN (0.39) KMT2AMEN1EHMT2ALDH1A1HSD17B10
SCHEMBL7764980 0.73 CYP3A4 (0.35) CYP1A2CYP3A4CYP2D6PRMT1
SCHEMBL7761783 0.72 LMNA (0.46) KMT2AMEN1EHMT2ALDH1A1
SCHEMBL7765809 0.71 EHMT2 (0.42) KMT2AMEN1EHMT2ALDH1A1GAA
SCHEMBL7767456 0.70 CYP1A2 (0.36) CYP1A2CYP3A4CYP2D6PRMT1

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