SCHEMBL9273198

SCHEMBL9273198

COc1cccc(NC(=O)NC2CCC(c3ccc(Cl)cc3)(c3ccc(Cl)cc3)CC2)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 6/20 0.65
▸ RAB9A P51151 6/20 0.65
▸ MAPT P10636 5/20 0.63
▸ MEN1 O00255 4/20 0.63
▸ KMT2A Q03164 4/20 0.63
▸ CNR1 P21554 1/20 0.53
▸ HTT P42858 2/20 0.52
▸ PKM P14618 1/20 0.51
▸ ALDH1A1 P00352 3/20 0.51
▸ TSHR P16473 3/20 0.50
▸ EPHX2 P34913 2/20 0.50
▸ LMNA P02545 1/20 0.50
▸ EPHX1 P07099 1/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ CASP3 P42574 2/20 0.49
▸ SENP7 Q9BQF6 2/20 0.49
▸ MGLL Q99685 1/20 0.49
▸ NFKB1 P19838 1/20 0.49
▸ NFKB2 Q00653 1/20 0.49
▸ RELA Q04206 1/20 0.49

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
SCHEMBL9270866 0.86 NPC1 (0.62) NPC1RAB9AMEN1KMT2ACNR1
SCHEMBL9271582 0.83 MAPT (0.58) MAPTMEN1KMT2AALDH1A1TSHR
SCHEMBL9275164 0.81 DCUN1D1 (0.66) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL4117269 0.76 CNR1 (0.84) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL30469272 0.76 CNR1 (0.84) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL11313046 0.76 NPC1 (0.75) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL9271464 0.76 NPC1 (0.59) NPC1RAB9AMEN1KMT2ACNR1
SCHEMBL9273027 0.75 EPHX2 (0.51) NPC1RAB9AALDH1A1TSHREPHX2
SCHEMBL18657863 0.73 NPC1 (0.70) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL9275859 0.73 RAB9A (0.62) NPC1RAB9AMAPTMEN1KMT2A

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-5420164-A Enzyme inhibitors YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1995-05-30 — — US disclosed
EP-0507291-A1 Cyclohexylurea compounds YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1992-10-07 — — EP disclosed
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