SCHEMBL21611498

SCHEMBL21611498

COc1ncnc(Oc2cnc3cc[nH]c3c2)c1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.42
▸ MAPT P10636 7/20 0.42
▸ LMNA P02545 3/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ CA1 P00915 2/20 0.36
▸ CA2 P00918 2/20 0.36
▸ CA7 P43166 2/20 0.36
▸ CA13 Q8N1Q1 2/20 0.36
▸ MMP12 P39900 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ PIN1 Q13526 1/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ KDR P35968 1/20 0.33
▸ BRD4 O60885 1/20 0.32

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
SCHEMBL21611607 0.81 KDR (0.39) MMP12MEN1KMT2AKDRBRD4
SCHEMBL21611552 0.76 MAPT (0.47) ALDH1A1MAPTLMNASMN1; SMN2KDM4E
SCHEMBL21611540 0.76 MAPT (0.49) ALDH1A1MAPTLMNASMN1; SMN2CA1
SCHEMBL21858751 0.74 MAPT (0.55) ALDH1A1MAPTLMNASMN1; SMN2CA1
SCHEMBL21611504 0.74 LMNA (0.50) ALDH1A1MAPTLMNASMN1; SMN2CA1
SCHEMBL21611500 0.74 MAPT (0.60) ALDH1A1MAPTLMNASMN1; SMN2CA1
SCHEMBL31200193 0.73 MMP12 (0.56) ALDH1A1MMP12MEN1KMT2AKDR
SCHEMBL12925129 0.73 MMP12 (0.56) ALDH1A1MMP12MEN1KMT2AKDR
SCHEMBL9165003 0.73 CA1 (0.49) ALDH1A1MAPTLMNASMN1; SMN2CA1
SCHEMBL21611534 0.72 MAPT (0.56) ALDH1A1MAPTLMNASMN1; SMN2CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3818054-A1 AMINO-PYRIMIDONYL DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Les Laboratoires Servier (FR) 2021-05-12 — — EP disclosed
CN-112368276-A Amino-pyrimidinone derivatives, process for their preparation and pharmaceutical compositions containing them 法国施维雅药厂 2021-02-12 — — CN disclosed
WO-2020008013-A1 AMINO-PYRIMIDONYL DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LES LABORATOIRES SERVIER (FR) 2020-01-09 — — WO disclosed
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