SCHEMBL22048701

SCHEMBL22048701

CCCOc1ccc(Cl)cc1N(C)C=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.47
MAPT P10636 2/20 0.43
PKM P14618 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HTR2C P28335 2/20 0.41
HTR2B P41595 2/20 0.41
KDM4E B2RXH2 2/20 0.40
HIF1A Q16665 2/20 0.40
HPGD P15428 3/20 0.40
TSHR P16473 3/20 0.40
CSNK2A1 P68400 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 2/20 0.39
POLB P06746 1/20 0.39
GPR55 Q9Y2T6 1/20 0.39
MAPK1 P28482 2/20 0.39
GAA P10253 1/20 0.39
S1PR4 O95977 1/20 0.38

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
SCHEMBL19980139 0.82 CSNK2A1 (0.40) KMT2AMAPTKDM4EHPGDCSNK2A1
SCHEMBL19980436 0.82 HTR2C (0.41) KMT2AMAPTHTR2CHTR2BKDM4E
SCHEMBL21156315 0.80 ALDH1A1 (0.35) KMT2AMAPTL3MBTL1KDM4EHPGD
SCHEMBL19980376 0.79 CYP19A1 (0.43) KMT2AMAPTKDM4ESMN1; SMN2ALDH1A1
SCHEMBL19655565 0.78 ALDH1A1 (0.42) KMT2AMAPTPKML3MBTL1HTR2C
SCHEMBL20344564 0.78 CYP19A1 (0.35) KMT2AMAPTKDM4EHPGDCSNK2A1
SCHEMBL20344535 0.77 CYP1A2 (0.44) MAPTKDM4EHPGDALDH1A1POLB
SCHEMBL14785176 0.76 KMT2A (0.56) KMT2AMAPTPKML3MBTL1HTR2C
SCHEMBL30304115 0.76 KMT2A (0.56) KMT2AMAPTPKML3MBTL1HTR2C
SCHEMBL12722178 0.76 SLC6A9 (0.46) MAPTPKML3MBTL1KDM4EHPGD

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
EP-3375780-B1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2020-06-03 EP disclosed