SCHEMBL7767457

SCHEMBL7767457

C=C1CC(C(C)(C)SC)N(Cc2ccccc2)C1=O

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EHMT2 Q96KQ7 1/20 0.38
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
RXFP1 Q9HBX9 2/20 0.36
ALDH1A1 P00352 5/20 0.35
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
MAPT P10636 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
TSHR P16473 2/20 0.33
MAPK1 P28482 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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 0.87 MEN1 (0.36) EHMT2MEN1KMT2ARXFP1ALDH1A1
SCHEMBL7764943 0.82 MEN1 (0.42) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL7765650 0.80 MEN1 (0.45) MEN1KMT2AALDH1A1HCRTR1HCRTR2
SCHEMBL7765797 0.78 KMT2A (0.38) EHMT2MEN1KMT2AALDH1A1HCRTR1
SCHEMBL7761783 0.76 LMNA (0.46) EHMT2MEN1KMT2AALDH1A1MAPK1
SCHEMBL7769361 0.73 CYP1A2 (0.40) EHMT2MEN1KMT2ARXFP1ALDH1A1
SCHEMBL7767456 0.71 CYP1A2 (0.36)
SCHEMBL7767441 0.70 MEN1 (0.35) EHMT2MEN1KMT2ARXFP1ALDH1A1
SCHEMBL7765772 0.70 SDCBP (0.38) EHMT2MEN1KMT2AALDH1A1MAPT
SCHEMBL7765809 0.69 EHMT2 (0.42) EHMT2MEN1KMT2AALDH1A1MAPT

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