SCHEMBL20042786

SCHEMBL20042786

Cc1nc2c(c(N3CCC3)n1)C(C)N(C(=O)n1ccnc1)C2

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.36
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.33
KDM4E B2RXH2 1/20 0.33
FAAH O00519 1/20 0.31
MGLL Q99685 1/20 0.31
TSHR P16473 1/20 0.31
NR4A1 P22736 1/20 0.31
TBXAS1 P24557 1/20 0.30
MAPK1 P28482 1/20 0.30
HSD17B10 Q99714 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL31614760 0.78 SMN1; SMN2 (0.36) LMNASMN1; SMN2KDM4ETSHRNR4A1
SCHEMBL20042971 0.78 NAMPT (0.37)
SCHEMBL20042901 0.77 KCNH2 (0.38) ALDH1A1SMN1; SMN2KDM4E
SCHEMBL20042797 0.77 LMNA (0.42) LMNAALDH1A1SMN1; SMN2KDM4EFAAH
SCHEMBL20042990 0.75 CNR1 (0.37) LMNAALDH1A1SMN1; SMN2KDM4ETSHR
SCHEMBL20042742 0.75 PROKR1 (0.35) ALDH1A1SMN1; SMN2KDM4EMAPK1HSD17B10
SCHEMBL31615020 0.73 PDE10A (0.35) LMNAALDH1A1SMN1; SMN2KDM4ETSHR
SCHEMBL20042875 0.73 PDE10A (0.35) LMNAALDH1A1SMN1; SMN2KDM4ETSHR
SCHEMBL20042885 0.73 PIP5K1C (0.38) LMNAALDH1A1SMN1; SMN2KDM4ETSHR
SCHEMBL31614910 0.73 PDE10A (0.35) LMNAALDH1A1SMN1; SMN2KDM4ETSHR

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