SCHEMBL7037628

SCHEMBL7037628

CN(C)Cc1ccc(SC2CCN(C(=S)SCc3ccccc3)CC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 3/20 0.42
ALDH1A1 P00352 3/20 0.39
TSHR P16473 1/20 0.39
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
CARM1 Q86X55 1/20 0.38
PRMT6 Q96LA8 1/20 0.38
MAPT P10636 1/20 0.37
PHGDH O43175 1/20 0.36
TAAR1 Q96RJ0 1/20 0.35
NPC1 O15118 2/20 0.35
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
PKM P14618 2/20 0.34
KDM4E B2RXH2 2/20 0.34
PKLR P30613 1/20 0.34
KDM1A O60341 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34

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
Hydrochloric Acid SCHEMBL7036741 0.99 MGLL (0.41) MGLLALDH1A1TSHRKMT2AMEN1
Hydrochloric Acid SCHEMBL7041667 0.85 MGLL (0.43) MGLLALDH1A1TSHRKMT2ACARM1
SCHEMBL7037865 0.84 MGLL (0.64) MGLLALDH1A1KMT2AMAPT
Hydrochloric Acid SCHEMBL7039745 0.83 MGLL (0.62) MGLLALDH1A1KMT2AMAPT
SCHEMBL7037625 0.82 MGLL (0.41) MGLLALDH1A1KMT2AMEN1CARM1
SCHEMBL7034580 0.80 TNKS (0.47) MGLLKMT2AMEN1
Hydrochloric Acid SCHEMBL7038169 0.79 TNKS (0.46) MGLLKMT2AMEN1
Hydrochloric Acid SCHEMBL7040296 0.77 LSS (0.41) MGLLALDH1A1MAPTNPC1RAB9A
SCHEMBL7038824 0.76 SRD5A1 (0.41) MGLLALDH1A1TSHRPHGDHTAAR1
SCHEMBL7037887 0.76 SMN1; SMN2 (0.56) KMT2AMEN1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1060162-B1 URETHANES DERIVED FROM AZACYCLOALKANES, THIO AND DITHIO ANALOGUES, PRODUCTION AND USE THEREOF AS 2,3 EPOXYSQUALENE LANESTEROL CYCLASE INHIBITORS BOEHRINGER INGELHEIM PHARMA (DE) 2003-03-19 EP claimed
US-6339096-B1 FOR THERAPY AND PROPHYLAXIS OF HYPERLIPIDAEMIAS, HYPERCHOLESTEROLAEMIAS AND ATHEROSCLEROSIS BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-01-15 US claimed
EP-1060162-B1 URETHANES DERIVED FROM AZACYCLOALKANES, THIO AND DITHIO ANALOGUES, PRODUCTION AND USE THEREOF AS 2,3 EPOXYSQUALENE LANESTEROL CYCLASE INHIBITORS BOEHRINGER INGELHEIM PHARMA (DE) 2003-03-19 EP disclosed
US-6339096-B1 FOR THERAPY AND PROPHYLAXIS OF HYPERLIPIDAEMIAS, HYPERCHOLESTEROLAEMIAS AND ATHEROSCLEROSIS BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-01-15 US disclosed