SCHEMBL29838929

SCHEMBL29838929

CCOC(=O)c1nn(-c2ccc(Cl)cc2)c(-c2cccc(C#N)c2)c1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.50
MAPT P10636 4/20 0.49
KMT2A Q03164 2/20 0.49
MAPK1 P28482 2/20 0.49
MEN1 O00255 1/20 0.49
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
ALDH1A1 P00352 7/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
HPGD P15428 2/20 0.46
USP2 O75604 1/20 0.46
NPSR1 Q6W5P4 3/20 0.45
GAA P10253 2/20 0.45
CHEK1 O14757 1/20 0.44
KCNH2 Q12809 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
PTGDR2 Q9Y5Y4 1/20 0.44

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
SCHEMBL277032 0.88 KDM4E (0.51) KDM4EMAPTKMT2AMAPK1MEN1
SCHEMBL29838940 0.87 PIN1 (0.47) KDM4EMAPTCA1CA2ALDH1A1
SCHEMBL29838942 0.84 ALDH1A1 (0.63) KDM4EMAPTKMT2ACA1CA2
SCHEMBL4187519 0.83 CA1 (0.58) KDM4EMAPTKMT2ACA1CA2
SCHEMBL29838969 0.80 CNR1 (0.47) KDM4EMAPTCA1CA2ALDH1A1
SCHEMBL29838938 0.78 CA1 (0.50) KDM4EMAPTKMT2AMEN1CA1
SCHEMBL4872470 0.77 GABRA2 (0.59) KDM4ECA1CA2NPC1RAB9A
SCHEMBL14660158 0.76 KDM4E (0.79) KDM4EMAPTKMT2AMAPK1MEN1
SCHEMBL2919412 0.76 ALDH1A1 (0.73) KDM4EMAPTCA1CA2ALDH1A1
SCHEMBL327857 0.75 CNR1 (0.53) KDM4EMAPTKMT2ACA1CA2

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
WO-2022164239-A1 PYRAZOLE-CARBOXAMIDE DERIVATIVE COMPOUND AND USE THEREOF 주식회사 파미노젠 2022-08-04 WO disclosed