SCHEMBL21845541

SCHEMBL21845541

Cc1nccc(-n2cnc(NC=O)c2)n1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ NPC1 O15118 2/20 0.31
▸ RAB9A P51151 2/20 0.31
▸ SMN1; SMN2 Q16637 2/20 0.31
▸ MAPT P10636 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ IDH1 O75874 1/20 0.31
▸ CYP17A1 P05093 1/20 0.30

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
SCHEMBL23452850 0.80 KDM4E (0.55) MEN1KMT2AKDM4ENPC1RAB9A
SCHEMBL28726329 0.74 SORT1 (0.41) —
SCHEMBL21845392 0.71 BCHE (0.35) —
SCHEMBL21845603 0.71 CPB1 (0.40) MEN1KMT2AKDM4ESMN1; SMN2MAPT
SCHEMBL17632635 0.68 UCHL1 (0.53) —
SCHEMBL28356454 0.67 NPC1 (0.46) NPC1RAB9A
SCHEMBL21845534 0.67 CYP1A2 (0.47) MEN1KMT2AKDM4EMAPT
SCHEMBL20205013 0.66 — —
SCHEMBL23451270 0.64 MGLL (0.43) NPC1RAB9AMAPT
SCHEMBL28103065 0.62 — —

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
EP-3197883-B1 NOVEL COMPOUNDS MISSION THERAPEUTICS LTD (GB) 2020-03-18 — — EP disclosed
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