SCHEMBL24660269

SCHEMBL24660269

COC(=O)c1ncc(-c2cccc(Br)c2C)nc1Cl

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 14/20 0.37
CD274 Q9NZQ7 14/20 0.37
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
SLC6A3 Q01959 2/20 0.35
SLC6A4 P31645 1/20 0.35
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
TSHR P16473 1/20 0.34
HTT P42858 1/20 0.34
LDHA P00338 1/20 0.34
LDHB P07195 1/20 0.34

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
SCHEMBL31353950 0.85 CD274 (0.47) PDCD1CD274
SCHEMBL23103152 0.85 CD274 (0.47) PDCD1CD274
SCHEMBL24660271 0.77 CD274 (0.43) PDCD1CD274
SCHEMBL20899380 0.72 SLC6A3 (0.43) PDCD1CD274MAPTKDM4EALDH1A1
SCHEMBL23624231 0.71 NPC1 (0.41) PDCD1CD274MAPTSMN1; SMN2KDM4E
SCHEMBL22789709 0.71 SLC6A3 (0.44) PDCD1CD274MAPTKDM4EALDH1A1
SCHEMBL30683763 0.71 SLC6A3 (0.44) PDCD1CD274MAPTKDM4EALDH1A1
SCHEMBL31279531 0.71 NPSR1 (0.47) MAPTSMN1; SMN2KDM4EALDH1A1LMNA
SCHEMBL18779093 0.71 NPSR1 (0.47) MAPTSMN1; SMN2KDM4EALDH1A1LMNA
SCHEMBL22947705 0.70 KDM4E (0.40) MAPTSMN1; SMN2KDM4EALDH1A1LMNA

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-2022166991-A1 INDOLINE COMPOUND 南京明德新药研发有限公司 2022-08-11 WO disclosed