SCHEMBL28889231

SCHEMBL28889231

NC(=O)C(c1cc(C(F)(F)F)cnn1)c1ccccc1Cl

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.39
HPGD P15428 1/20 0.39
OPRL1 P41146 1/20 0.38
ALDH1A1 P00352 4/20 0.37
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
GAA P10253 3/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MAPT P10636 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
POLB P06746 2/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 2/20 0.34
USP2 O75604 1/20 0.34
GHSR Q92847 1/20 0.34
PLAU P00749 1/20 0.34

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
SCHEMBL29893847 1.00 GLA (0.39) GLAHPGDOPRL1ALDH1A1KMT2A
SCHEMBL28889221 0.81 ADRB2 (0.41) GLAHPGDOPRL1ALDH1A1KMT2A
SCHEMBL28889252 0.81 PKM (0.41) GLAHPGDALDH1A1KMT2AMEN1
SCHEMBL29893701 0.81 PKM (0.41) GLAHPGDALDH1A1KMT2AMEN1
SCHEMBL29942343 0.80 KMT2A (0.39) GLAHPGDALDH1A1KMT2AMEN1
SCHEMBL28889262 0.78 KMT2A (0.38) GLAHPGDALDH1A1KMT2AMEN1
SCHEMBL29894334 0.78 KMT2A (0.38) GLAHPGDALDH1A1KMT2AMEN1
SCHEMBL28889313 0.75 ALDH1A1 (0.52) GLAHPGDALDH1A1GAARAB9A
SCHEMBL29894007 0.75 ALDH1A1 (0.52) GLAHPGDALDH1A1GAARAB9A
SCHEMBL19552356 0.69 ALOX5AP (0.38) OPRL1ALDH1A1

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
CN-115215862-A Pyrimidone compounds and uses thereof 武汉人福创新药物研发中心有限公司 2022-10-21 CN disclosed