SCHEMBL28889252

SCHEMBL28889252

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.41
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.37
GHSR Q92847 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
KDR P35968 1/20 0.35
GAA P10253 3/20 0.35
LMNA P02545 2/20 0.35
POLB P06746 1/20 0.35
GLA P06280 1/20 0.34
HPGD P15428 1/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
MAPK1 P28482 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
MAPT P10636 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
SCHEMBL29893701 1.00 PKM (0.41) PKMKMT2AMEN1GHSRSMN1; SMN2
SCHEMBL29942343 0.90 KMT2A (0.39) PKMKMT2AMEN1GHSRSMN1; SMN2
SCHEMBL29894334 0.88 KMT2A (0.38) PKMKMT2AMEN1GHSRSMN1; SMN2
SCHEMBL28889262 0.88 KMT2A (0.38) PKMKMT2AMEN1GHSRSMN1; SMN2
SCHEMBL28889319 0.84 ADRB2 (0.41) PKMKMT2AMEN1GHSRSMN1; SMN2
SCHEMBL29893847 0.81 GLA (0.39) KMT2AMEN1GHSRSMN1; SMN2KDM4E
SCHEMBL28889231 0.81 GLA (0.39) KMT2AMEN1GHSRSMN1; SMN2KDM4E
SCHEMBL29941704 0.78 ADRB2 (0.39) PKMKMT2AMEN1GHSRALDH1A1
SCHEMBL29941823 0.74 ADRB2 (0.40) KMT2AMEN1GHSRSMN1; SMN2KDM4E
SCHEMBL28889189 0.73 CTSA (0.45) KMT2AMEN1SMN1; SMN2KDM4EALDH1A1

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