SCHEMBL20042791

SCHEMBL20042791

Cc1nc2c(c(N3CCC3)n1)CN(C(=O)N1CCCC1)C2

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 6/20 0.37
GBA1 P04062 2/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
MAPK1 P28482 2/20 0.34
HSD17B10 Q99714 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
LMNA P02545 2/20 0.34
TSHR P16473 1/20 0.34
NR4A1 P22736 1/20 0.34
NPY5R Q15761 2/20 0.33
GPR55 Q9Y2T6 2/20 0.33
P2RX7 Q99572 1/20 0.33
CNR1 P21554 1/20 0.33
MAPT P10636 1/20 0.33
GFER P55789 1/20 0.33

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
SCHEMBL20042804 0.99 ALDH1A1 (0.40) SMN1; SMN2KDM4EALDH1A1GBA1MEN1
SCHEMBL20042870 0.84 KDM4E (0.35) SMN1; SMN2KDM4EALDH1A1GBA1MEN1
SCHEMBL20042797 0.80 LMNA (0.42) SMN1; SMN2KDM4EALDH1A1GBA1LMNA
SCHEMBL20042806 0.80 CNR1 (0.47) SMN1; SMN2ALDH1A1GBA1MEN1KMT2A
SCHEMBL20042800 0.80 CNR1 (0.45) SMN1; SMN2ALDH1A1GBA1MEN1KMT2A
SCHEMBL20042764 0.79 CNR1 (0.49) SMN1; SMN2ALDH1A1GBA1MEN1KMT2A
SCHEMBL31614795 0.79 MTOR (0.47) SMN1; SMN2MEN1KMT2ALMNATSHR
SCHEMBL20042670 0.79 MTOR (0.47) SMN1; SMN2MEN1KMT2ALMNATSHR
SCHEMBL20042724 0.78 CHRNB2 (0.34) SMN1; SMN2KDM4EGBA1LMNATSHR
SCHEMBL20042660 0.78 CNR1 (0.39) SMN1; SMN2KDM4EALDH1A1GBA1MEN1

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