SCHEMBL7766697

SCHEMBL7766697

C=C1CC(CCCCSCc2ccccc2)N(Cc2ccccc2)C1=O

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EHMT2 Q96KQ7 1/20 0.38
ALDH1A1 P00352 6/20 0.37
LMNA P02545 2/20 0.37
PSMD14 O00487 1/20 0.37
GPR55 Q9Y2T6 1/20 0.37
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
CYP2C19 P33261 1/20 0.35
GBA1 P04062 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
MTAP Q13126 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
SCHEMBL7764955 0.96 EHMT2 (0.38) EHMT2ALDH1A1LMNAPSMD14GPR55
SCHEMBL7765809 0.84 EHMT2 (0.42) EHMT2ALDH1A1LMNAPSMD14GPR55
SCHEMBL7767480 0.75 CRBN (0.40) EHMT2ALDH1A1LMNAPSMD14GPR55
SCHEMBL7769361 0.74 CYP1A2 (0.40) EHMT2ALDH1A1KMT2AMEN1HCRTR1
SCHEMBL7765770 0.73 CYP2C19 (0.38) ALDH1A1LMNACYP2C19GBA1HTT
SCHEMBL7767518 0.71 CRBN (0.41) EHMT2ALDH1A1LMNAPSMD14GPR55
SCHEMBL7765772 0.71 SDCBP (0.38) EHMT2ALDH1A1KMT2AMEN1
SCHEMBL7761783 0.69 LMNA (0.46) EHMT2ALDH1A1LMNAKMT2AMEN1
SCHEMBL7766827 0.69 CYP2C19 (0.39) ALDH1A1LMNACYP2C19GBA1HTT
SCHEMBL7766819 0.68 MEN1 (0.36) EHMT2ALDH1A1KMT2AMEN1HCRTR1

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