SCHEMBL16223188

SCHEMBL16223188

O=C1N/C(=C\c2ccncc2)C(=O)N1c1cccnc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 9/20 0.55
▸ KMT2A Q03164 6/20 0.55
▸ ALDH1A1 P00352 4/20 0.55
▸ NPC1 O15118 2/20 0.55
▸ RAB9A P51151 2/20 0.55
▸ SMN1; SMN2 Q16637 2/20 0.55
▸ KDM4E B2RXH2 1/20 0.55
▸ MEN1 O00255 4/20 0.49
▸ HTT P42858 3/20 0.49
▸ PKM P14618 2/20 0.48
▸ AR P10275 1/20 0.46
▸ POLB P06746 1/20 0.44
▸ OPRK1 P41145 1/20 0.44
▸ BLM P54132 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ CGAS Q8N884 1/20 0.44
▸ ELANE P08246 1/20 0.43
▸ MAPK1 P28482 3/20 0.43
▸ LMNA P02545 2/20 0.43
▸ GAA P10253 1/20 0.43

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
SCHEMBL16223359 0.87 MAPT (0.63) MAPTKMT2AALDH1A1NPC1RAB9A
Hydrochloric Acid SCHEMBL16245570 0.86 MAPT (0.61) MAPTKMT2AALDH1A1NPC1RAB9A
SCHEMBL16245623 0.81 GAA (0.58) MAPTKMT2AALDH1A1NPC1RAB9A
SCHEMBL16223234 0.80 MAPT (0.48) MAPTKMT2AALDH1A1NPC1RAB9A
SCHEMBL16223194 0.79 MAPT (0.50) MAPTKMT2AALDH1A1NPC1RAB9A
SCHEMBL16245627 0.79 MAPT (0.50) MAPTKMT2AALDH1A1NPC1RAB9A
SCHEMBL16245578 0.79 MAPT (0.50) MAPTKMT2AALDH1A1NPC1RAB9A
SCHEMBL16245908 0.79 ITGA4 (0.52) MAPTKMT2AALDH1A1NPC1RAB9A
SCHEMBL16229906 0.79 MAPT (0.50) MAPTKMT2AALDH1A1NPC1RAB9A
SCHEMBL16223148 0.77 TDP1 (0.58) MAPTKMT2AALDH1A1NPC1RAB9A

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
WO-2014180544-A1 HYDANTOINE DERIVATIVES AS CD38 INHIBITORS SANOFI (FR) 2014-11-13 — — WO claimed
EP-2801573-A1 Hydantoine derivatives as CD38 inhibitors SANOFI (FR) 2014-11-12 — — EP claimed
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