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SCHEMBL18618863

SCHEMBL18618863

CCCCOc1cccc(Cc2cc(N)nc(N)c2/N=N/c2ccc(Cl)cc2)c1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ DHFR P00374 13/20 0.53
▸ PKM P14618 1/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ MPO P05164 1/20 0.37

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
SCHEMBL19380925 0.87 DHFR (0.48) DHFRMEN1NPC1MAPTMAPK1
SCHEMBL20515400 0.86 DHFR (0.52) DHFRMEN1MAPK1KMT2AMPO
SCHEMBL18618864 0.86 DHFR (0.52) DHFRMEN1MAPK1KMT2AMPO
SCHEMBL20672109 0.80 MAPT (0.44) MEN1NPC1MAPTMAPK1RAB9A
SCHEMBL18618861 0.79 DHFR (0.67) DHFRPKMMPO
SCHEMBL19295489 0.79 MAPT (0.48) MEN1NPC1MAPTMAPK1RAB9A
SCHEMBL18618821 0.79 MPO (0.47) DHFRMEN1NPC1MAPTMAPK1
SCHEMBL20515396 0.79 MPO (0.47) DHFRMEN1NPC1MAPTMAPK1
SCHEMBL20515403 0.78 MPO (0.54) DHFRMEN1NPC1MAPTRAB9A
SCHEMBL18620547 0.78 MPO (0.54) DHFRMEN1NPC1MAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017040451-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE BRISTOL-MYERS SQUIBB COMPANY (US) 2017-03-09 — — WO disclosed
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