SCHEMBL31107272

SCHEMBL31107272

Cn1cnc2cc(Cl)c(F)c(C(=O)O)c21

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 6/20 0.39
DPP8 Q6V1X1 3/20 0.39
KDM4C Q9H3R0 5/20 0.36
KMO O15229 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
KDM2B Q8NHM5 2/20 0.33
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.33
RAB9A P51151 1/20 0.33
NOTUM Q6P988 1/20 0.33
MAPK1 P28482 2/20 0.33
POLB P06746 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 1/20 0.33
KAT6A Q92794 1/20 0.32
KDM5A P29375 1/20 0.32
KDM5B Q9UGL1 1/20 0.32

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
SCHEMBL24558170 0.84 DPP4 (0.37) DPP4DPP8SMN1; SMN2NPC1TP53
SCHEMBL615255 0.73 NR3C1 (0.33) KDM4C
SCHEMBL24558265 0.72 CSNK2A2 (0.35) KDM4CKDM2B
SCHEMBL30417693 0.72 THRB (0.42) DPP4KDM4CKDM2BRAB9AMAPK1
SCHEMBL2934931 0.69 DPP4 (0.44) DPP4DPP8KDM4CSMN1; SMN2NPC1
SCHEMBL8377346 0.68 DPP4 (0.44) DPP4KMOSMN1; SMN2TP53MAPK1
SCHEMBL24463239 0.68 DPP4 (0.37) DPP4DPP8SMN1; SMN2NPC1RAB9A
SCHEMBL30390911 0.68 DPP4 (0.37) DPP4DPP8SMN1; SMN2NPC1RAB9A
SCHEMBL20698152 0.67 DPP4 (0.39) DPP4DPP8SMN1; SMN2NPC1TP53
SCHEMBL25939485 0.66 DHODH (0.55) DPP4DPP8

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-113508118-B Fused tricyclic compounds useful as anticancer agents 阿斯利康(瑞典)有限公司 2024-07-19 CN disclosed