SCHEMBL30908352

SCHEMBL30908352

CC(=O)Nc1nc2c(cc1C#N)CCC2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.52
ALDH1A1 P00352 12/20 0.50
SMN1; SMN2 Q16637 9/20 0.50
MAPT P10636 7/20 0.50
CASP1 P29466 6/20 0.50
CASP7 P55210 6/20 0.50
HSD17B10 Q99714 6/20 0.50
HPGD P15428 6/20 0.50
KMT2A Q03164 5/20 0.50
MEN1 O00255 3/20 0.50
RAB9A P51151 8/20 0.47
NPC1 O15118 7/20 0.47
NPSR1 Q6W5P4 4/20 0.47
RXFP1 Q9HBX9 4/20 0.47
PKM P14618 3/20 0.47
TP53 P04637 3/20 0.47
LMNA P02545 1/20 0.47
USP2 O75604 2/20 0.47
TSHR P16473 2/20 0.47
ALOX15 P16050 1/20 0.45

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
SCHEMBL31647674 0.75 ALDH1A1 (0.56) KDM4EALDH1A1SMN1; SMN2MAPTCASP1
SCHEMBL6948388 0.75 ALDH1A1 (0.40) KDM4EALDH1A1SMN1; SMN2MAPTCASP1
SCHEMBL16019317 0.72 SMN1; SMN2 (0.60) KDM4EALDH1A1SMN1; SMN2MAPTCASP1
SCHEMBL25073970 0.69 KDM4E (0.46) KDM4EALDH1A1SMN1; SMN2MAPTHSD17B10
SCHEMBL30471680 0.69 SMN1; SMN2 (0.60) KDM4EALDH1A1SMN1; SMN2MAPTHSD17B10
SCHEMBL16019318 0.69 SMN1; SMN2 (0.93) KDM4EALDH1A1SMN1; SMN2MAPTHSD17B10
SCHEMBL23793117 0.69 SMN1; SMN2 (0.60) KDM4EALDH1A1SMN1; SMN2MAPTHSD17B10
SCHEMBL29375167 0.69 SMN1; SMN2 (0.93) KDM4EALDH1A1SMN1; SMN2MAPTHSD17B10
SCHEMBL15116256 0.69 SMN1; SMN2 (0.65) KDM4EALDH1A1SMN1; SMN2HSD17B10KMT2A
SCHEMBL4107462 0.69 SMN1; SMN2 (0.65) KDM4EALDH1A1SMN1; SMN2HSD17B10HPGD

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-2024074611-A1 PRMT5 INHIBITORS Ryvu Therapeutics S.A. (PL) 2024-04-11 WO disclosed