SCHEMBL7032991

SCHEMBL7032991

CCOc1ccc(CCCNC)cc1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.56
KMT2A Q03164 3/20 0.53
MEN1 O00255 1/20 0.53
NQO1 P15559 1/20 0.52
L3MBTL1 Q9Y468 3/20 0.51
MAPT P10636 3/20 0.50
LMNA P02545 1/20 0.50
GAA P10253 1/20 0.50
ACACB O00763 2/20 0.48
HTR1B P28222 1/20 0.47
RAB9A P51151 2/20 0.45
NPC1 O15118 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL2910125 0.89 NQO1 (0.56) SIGMAR1NQO1MAPTLMNAACACB
SCHEMBL12377087 0.86 L3MBTL1 (0.57) KMT2AMEN1L3MBTL1MAPTLMNA
SCHEMBL4248652 0.84 NQO1 (0.67) SIGMAR1KMT2AMEN1NQO1L3MBTL1
SCHEMBL10575040 0.82 NQO1 (0.64) SIGMAR1KMT2AMEN1NQO1L3MBTL1
SCHEMBL14178223 0.82 MEN1 (0.74) SIGMAR1KMT2AMEN1L3MBTL1MAPT
SCHEMBL4615272 0.81 CALM1 (0.58) SIGMAR1KMT2AMEN1L3MBTL1LMNA
SCHEMBL8986190 0.81 L3MBTL1 (0.55) SIGMAR1KMT2AMEN1L3MBTL1HTR1B
SCHEMBL9523628 0.81 DRD2 (0.68) SIGMAR1KMT2AMAPTLMNAGAA
SCHEMBL8986268 0.80 NQO1 (0.61) SIGMAR1KMT2AMEN1NQO1L3MBTL1
SCHEMBL14855263 0.80 CHRM2 (0.57) KMT2AMEN1L3MBTL1

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-1042355-B1 11BETA-HALOGEN-7ALPHA-SUBSTITUTED ESTRATRIENES, METHOD FOR PRODUCING PHARMACEUTICAL PREPARATIONS CONTAINING SAID 11BETA-HALOGEN-7ALPHA-SUBSTITUTED ESTRATRIENES AND USE OF THE SAME FOR PRODUCING MEDICAMENTS SCHERING AG (DE) 2003-02-12 EP disclosed
EP-1042355-A1 11BETA-HALOGEN-7ALPHA-SUBSTITUTED ESTRATRIENES, METHOD FOR PRODUCING PHARMACEUTICAL PREPARATIONS CONTAINING SAID 11BETA-HALOGEN-7ALPHA-SUBSTITUTED ESTRATRIENES AND USE OF THE SAME FOR PRODUCING MEDICAMENTS Schering Aktiengesellschaft (DE) 2000-10-11 EP disclosed
WO-1999033855-A1 11β-HALOGEN-7α-SUBSTITUTED ESTRATRIENES, METHOD FOR PRODUCING PHARMACEUTICAL PREPARATIONS CONTAINING SAID 11β-HALOGEN-7α-SUBSTITUTED ESTRATRIENES AND USE OF THE SAME FOR PRODUCING MEDICAMENTS SCHERING AKTIENGESELLSCHAFT (DE) 1999-07-08 WO disclosed