SCHEMBL31438501

SCHEMBL31438501

CC(C)(C)OC(=O)NCc1nccc(I)c1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.41
SSTR4 P31391 1/20 0.40
NAMPT P43490 1/20 0.39
KDM4A O75164 1/20 0.39
ATR Q13535 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
MAPKAPK2 P49137 3/20 0.38
KDM4E B2RXH2 2/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.36
CYP17A1 P05093 1/20 0.36
GRM2 Q14416 1/20 0.36
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 1/20 0.36
AAK1 Q2M2I8 1/20 0.36
CACNA1H O95180 1/20 0.36
CACNA1B Q00975 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
SCHEMBL30564617 1.00 L3MBTL1 (0.41) L3MBTL1SSTR4NAMPTKDM4AATR
SCHEMBL21455353 0.84 ATR (0.44) L3MBTL1SSTR4NAMPTKDM4AATR
SCHEMBL17785366 0.83 KLKB1 (0.43) L3MBTL1SSTR4NAMPTKDM4AATR
SCHEMBL29366380 0.83 KLKB1 (0.43) L3MBTL1SSTR4NAMPTKDM4AATR
SCHEMBL25198671 0.82 ATR (0.43) L3MBTL1SSTR4NAMPTKDM4AATR
SCHEMBL31571144 0.80 NPSR1 (0.40) L3MBTL1POLB
SCHEMBL31352678 0.80 SSTR4 (0.44) L3MBTL1SSTR4NAMPTKDM4AATR
SCHEMBL29023442 0.80 ATR (0.41) L3MBTL1SSTR4NAMPTKDM4AATR
SCHEMBL25199363 0.79 HSD17B10 (0.36) KDM4E
SCHEMBL18764702 0.78 NAMPT (0.46) L3MBTL1NAMPTKDM4AKDM4ELMNA

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-116134035-B 3- (1H-imidazol-2-yl) -2,3,8 a-tetrahydroindol-5 (1H) -one derivatives useful as factor XIA inhibitors 詹森药业有限公司 2025-03-11 CN disclosed