SCHEMBL10554157

SCHEMBL10554157

COC(=O)C(CCCCN=Cc1ccccc1)N=Cc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MIF P14174 6/20 0.55
CA2 P00918 3/20 0.38
CA1 P00915 1/20 0.37
KMT2A Q03164 5/20 0.36
MEN1 O00255 3/20 0.35
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34
OPRL1 P41146 1/20 0.34
CA12 O43570 1/20 0.34
CA9 Q16790 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
FAAH O00519 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
SCHEMBL10554151 1.00 MIF (0.55) MIFCA2CA1KMT2AMEN1
SCHEMBL10553690 0.96 MIF (0.56) MIFCA2CA1KMT2AMEN1
SCHEMBL10553692 0.96 MIF (0.56) MIFCA2CA1KMT2AMEN1
SCHEMBL10555517 0.95 MIF (0.57) MIFCA2CA1KMT2AMEN1
SCHEMBL12041932 0.87 MIF (0.57) MIFFAAH
SCHEMBL349916 0.85 MIF (0.58) MIFCA2CA1FAAH
SCHEMBL349917 0.85 MIF (0.58) MIFCA2CA1FAAH
SCHEMBL20848265 0.85 MIF (0.44) MIFCA2KMT2AMEN1NPC1
SCHEMBL20848254 0.84 MIF (0.57) MIFKMT2AMEN1KDM4EALDH1A1
SCHEMBL20848130 0.84 MIF (0.57) MIFKMT2AMEN1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4866206-A INHIBITORS OF ORNITHINE DECARBOXYLASE MERRELL DOW FRANCE ET CIE (FR) 1989-09-12 US disclosed
US-4743691-A INHIBITORS OF ORNITHINE DECARBOXYLASE MERRELL DOW FRANCE ET CIE (FR) 1988-05-10 US disclosed