SCHEMBL24699003

SCHEMBL24699003

NCc1cccc(-c2nc(N3CCC3)nc3c2CCC3)c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PRMT6 Q96LA8 1/20 0.39
ALDH1A1 P00352 3/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
LMNA P02545 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HTT P42858 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
KDM4E B2RXH2 2/20 0.36
VCP P55072 1/20 0.36
PIK3CA P42336 1/20 0.36
CASP1 P29466 1/20 0.36
CASP5 P51878 1/20 0.36
CFD P00746 1/20 0.36
IGF1R P08069 2/20 0.35
GBA1 P04062 1/20 0.35
AOC3 Q16853 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL24698793 0.88 CASP1 (0.43) PRMT6ALDH1A1L3MBTL1LMNASMN1; SMN2
SCHEMBL24698115 0.88 HRH2 (0.41) ALDH1A1L3MBTL1LMNASMN1; SMN2KDM4E
SCHEMBL24699446 0.87 CASP1 (0.45) PRMT6ALDH1A1L3MBTL1LMNASMN1; SMN2
SCHEMBL24698174 0.86 CFD (0.35) PRMT6VCPCFDAOC3
SCHEMBL24698505 0.86 CFD (0.37) PRMT6ALDH1A1LMNASMN1; SMN2HTT
SCHEMBL24697805 0.86 CASP1 (0.44) PRMT6ALDH1A1L3MBTL1LMNASMN1; SMN2
SCHEMBL24698819 0.85 PRMT6 (0.44) PRMT6ALDH1A1L3MBTL1LMNASMN1; SMN2
SCHEMBL24698186 0.85 AOC3 (0.40) ALDH1A1L3MBTL1LMNASMN1; SMN2HTT
SCHEMBL24698727 0.85 TP53 (0.38) ALDH1A1L3MBTL1LMNASMN1; SMN2HTT
SCHEMBL24697555 0.84 PIK3CA (0.49) ALDH1A1L3MBTL1LMNASMN1; SMN2HTT

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-2022212194-A1 KHK INHIBITORS GILEAD SCIENCES, INC. (US) 2022-10-06 WO disclosed