SCHEMBL21548948

SCHEMBL21548948

CSc1nc(C(=O)O)nc(C)c1Cc1ccc(C)cc1Cl

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 1/20 0.36
▸ HTT P42858 4/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ KDM4A O75164 1/20 0.34
▸ KDM5A P29375 1/20 0.34
▸ KDM2B Q8NHM5 1/20 0.34
▸ KDM4C Q9H3R0 1/20 0.34
▸ KDM5B Q9UGL1 1/20 0.34
▸ MAPT P10636 4/20 0.34
▸ POLB P06746 3/20 0.34
▸ TP53 P04637 2/20 0.34
▸ BLM P54132 1/20 0.34
▸ GAA P10253 2/20 0.34
▸ GFER P55789 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ LMNA P02545 2/20 0.34
▸ HPGD P15428 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ RAB9A P51151 1/20 0.32
▸ MEN1 O00255 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
SCHEMBL21526074 0.91 SMN1; SMN2 (0.46) HTTSMN1; SMN2KDM4CMAPTALDH1A1
SCHEMBL20356703 0.85 SMN1; SMN2 (0.48) HTTSMN1; SMN2MAPTTP53GAA
SCHEMBL21526065 0.80 HTT (0.45) HTTSMN1; SMN2KDM4CHPGDKMT2A
SCHEMBL20356667 0.78 SMN1; SMN2 (0.54) HTTSMN1; SMN2KDM4CKMT2A
SCHEMBL21526053 0.75 SMN1; SMN2 (0.50) HTTSMN1; SMN2KDM4CKMT2A
SCHEMBL20356760 0.75 GAA (0.38) HTTSMN1; SMN2MAPTPOLBTP53
SCHEMBL21548933 0.73 SMN1; SMN2 (0.61) HTTSMN1; SMN2KDM4CMAPTALDH1A1
SCHEMBL20356706 0.73 SMN1; SMN2 (0.45) HTTSMN1; SMN2MAPTPOLBTP53
SCHEMBL21526092 0.72 SMN1; SMN2 (0.56) HTTSMN1; SMN2MAPTTP53GAA
SCHEMBL20356705 0.72 MAPT (0.40) HTTSMN1; SMN2MAPTTP53GAA

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
EP-3564216-B1 PYRIMIDINE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2021-10-27 — — EP disclosed
EP-3564216-A1 PYRIMIDINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2019-11-06 — — EP disclosed
Send feedback