SCHEMBL30997264

SCHEMBL30997264

Cc1ccc2c(C=O)c(-c3ccccn3)nn2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.39
GAA P10253 5/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
HTT P42858 3/20 0.39
KMT2A Q03164 3/20 0.39
TDP1 Q9NUW8 3/20 0.39
NPSR1 Q6W5P4 2/20 0.39
MEN1 O00255 1/20 0.39
TP53 P04637 2/20 0.38
MAPK1 P28482 1/20 0.38
NPC1 O15118 3/20 0.38
KDM4E B2RXH2 3/20 0.38
RAB9A P51151 2/20 0.38
POLB P06746 2/20 0.38
GLA P06280 1/20 0.38
NR1H4 Q96RI1 1/20 0.37
FLT3 P36888 1/20 0.37
GFER P55789 1/20 0.37
ERN1 O75460 1/20 0.36
CSNK1A1 P48729 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
SCHEMBL30997271 0.84 MAPK14 (0.39) MAPTGAASMN1; SMN2KMT2ATP53
SCHEMBL11328355 0.81 TGFBR1 (0.40) MAPTKMT2ANPC1KDM4EPOLB
SCHEMBL31003054 0.70 KDM4E (0.39) MAPTHTTKMT2ANPSR1MAPK1
SCHEMBL15813304 0.70 KDM4E (0.39) MAPTHTTKMT2ANPSR1MAPK1
SCHEMBL286156 0.66 ALDH1A1 (0.45) GAASMN1; SMN2HTTKMT2AMEN1
SCHEMBL20125014 0.65 MAPT (0.51) MAPTGAASMN1; SMN2HTTKMT2A
SCHEMBL28619424 0.64 PTGS2 (0.40) MAPTSMN1; SMN2KMT2ATDP1MEN1
SCHEMBL15345055 0.64 NPC1 (0.44) MAPTGAASMN1; SMN2HTTKMT2A
SCHEMBL15173172 0.63 ERN1 (0.43) MAPTSMN1; SMN2HTTTDP1TP53
SCHEMBL28791184 0.62 KDM4E (0.42) MAPTSMN1; SMN2HTTTDP1TP53

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
CN-118556061-A Disubstituted octahydropyrrolo [3,4-c ] pyrrole methyl ketone derivative and application thereof 江苏恩华药业股份有限公司 2024-08-27 CN disclosed