SCHEMBL28800115

SCHEMBL28800115

CCOC(=O)c1c(C(F)(F)F)nc(C)n1-c1ccc(Cl)cc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.51
MAPK1 P28482 1/20 0.49
ALDH1A1 P00352 4/20 0.47
KDM4E B2RXH2 3/20 0.47
HPGD P15428 2/20 0.47
GABRA2 P47869 3/20 0.46
GABRB2 P47870 3/20 0.46
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
HTT P42858 1/20 0.44
MAPT P10636 4/20 0.44
NPSR1 Q6W5P4 1/20 0.43
GAA P10253 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.41
ATM Q13315 1/20 0.41

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
SCHEMBL28946338 0.83 NOTUM (0.43) ALDH1A1KDM4EHPGDMAPT
SCHEMBL28800159 0.83 KMT2A (0.56) KMT2AMAPK1ALDH1A1KDM4EHPGD
SCHEMBL28800153 0.78 MAPT (0.46) KMT2AMAPK1ALDH1A1KDM4EHPGD
SCHEMBL15004863 0.76 ALDH1A1 (0.71) KMT2AMAPK1ALDH1A1KDM4EHPGD
SCHEMBL28800120 0.74 POLB (0.52) KMT2AMAPK1ALDH1A1HPGDHTT
SCHEMBL16033357 0.73 GABRA2 (0.49) KMT2AMAPK1ALDH1A1KDM4EGABRA2
SCHEMBL408365 0.73 DGAT1 (0.59) KMT2AMAPK1ALDH1A1KDM4EGABRA2
SCHEMBL28800137 0.73 POLB (0.52) KMT2AMAPK1ALDH1A1KDM4EHPGD
SCHEMBL11561773 0.72 KMT2A (0.53) KMT2AMAPK1ALDH1A1KDM4EGABRA2
SCHEMBL28800129 0.72 HTT (0.51) KMT2AMAPK1ALDH1A1HPGDNPC1

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-114790176-A Imidazole compound and preparation method and application thereof 武汉人福创新药物研发中心有限公司 2022-07-26 CN disclosed