SCHEMBL20042698

SCHEMBL20042698

CCc1ccc(C(=O)N2Cc3nc(C)nc(N4CCC4)c3C2)cc1C#N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
P2RX7 Q99572 1/20 0.38
KDM4E B2RXH2 7/20 0.38
HPGD P15428 3/20 0.38
TSHR P16473 3/20 0.38
CASP1 P29466 3/20 0.38
CASP7 P55210 3/20 0.38
HSD17B10 Q99714 3/20 0.38
FASN P49327 1/20 0.38
ALDH1A1 P00352 8/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
MAPK1 P28482 1/20 0.38
LMNA P02545 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
NPSR1 Q6W5P4 2/20 0.37
CFTR P13569 3/20 0.36
MAPT P10636 2/20 0.36
ALOX15 P16050 2/20 0.36
USP2 O75604 1/20 0.36

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
SCHEMBL20042903 0.89 MEN1 (0.42) MEN1KMT2AP2RX7KDM4EHPGD
SCHEMBL20042821 0.87 MEN1 (0.41) MEN1KMT2AP2RX7KDM4EHPGD
SCHEMBL20042754 0.87 MEN1 (0.41) MEN1KMT2AP2RX7KDM4EHPGD
SCHEMBL20042696 0.85 KDM1A (0.45) MEN1KMT2AP2RX7KDM4EHPGD
SCHEMBL20042733 0.85 MEN1 (0.41) MEN1KMT2AP2RX7KDM4EHPGD
SCHEMBL20042728 0.84 MEN1 (0.42) MEN1KMT2AFASNALDH1A1L3MBTL1
SCHEMBL20042721 0.82 GRM5 (0.47) MEN1KMT2AP2RX7L3MBTL1CFTR
SCHEMBL20042671 0.81 P2RX7 (0.45) KMT2AP2RX7HPGDTSHRALDH1A1
SCHEMBL20042701 0.81 PROKR1 (0.47) P2RX7HSD17B10LMNACFTRPOLB
SCHEMBL20042817 0.80 PKM (0.44) MEN1KMT2AP2RX7KDM4EHPGD

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-2018066718-A1 THERAPEUTIC COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-04-12 WO disclosed