SCHEMBL31190882

SCHEMBL31190882

COC(=O)c1ccn2cc(-c3c(F)cccc3-c3ccc(F)cc3F)nc2c1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALPL P05186 1/20 0.40
FFAR1 O14842 1/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
MAPT P10636 2/20 0.39
MAPK14 Q16539 6/20 0.38
ALDH1A1 P00352 3/20 0.37
ALDH1A3 P47895 2/20 0.37
ALDH1A2 O94788 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
KDM4E B2RXH2 1/20 0.36
TLR9 Q9NR96 1/20 0.36
TLR7 Q9NYK1 1/20 0.36
SUV39H2 Q9H5I1 1/20 0.35
NR1I2 O75469 1/20 0.35

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
SCHEMBL31190893 0.89 ALPL (0.42) ALPLFFAR1NPC1RAB9AMAPT
SCHEMBL31298296 0.85 NPC1 (0.38) FFAR1NPC1RAB9AMAPTALDH1A1
SCHEMBL31298331 0.83 RAB9A (0.42) NPC1RAB9AMAPTALDH1A1ALDH1A3
SCHEMBL31298233 0.82 PDK2 (0.46) NPC1RAB9AMAPTALDH1A1ALDH1A3
SCHEMBL31091916 0.81 SUV39H2 (0.39) NPC1RAB9AMAPTALDH1A1ALDH1A3
SCHEMBL16003620 0.81 FFAR1 (0.47) ALPLFFAR1NPC1RAB9AMAPT
SCHEMBL31298258 0.81 NPC1 (0.42) FFAR1NPC1RAB9AMAPTALDH1A1
SCHEMBL31191057 0.80 MAPK14 (0.41) ALPLNPC1RAB9AMAPK14ALDH1A1
SCHEMBL31298353 0.79 SUV39H2 (0.43) FFAR1NPC1RAB9AMAPTALDH1A1
SCHEMBL31190897 0.79 SUV39H2 (0.41) NPC1RAB9AMAPTALDH1A1ALDH1A3

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-2024220543-A1 NK3 MODULATORS AND USES THEREOF KALLYOPE, INC. (US) 2024-10-24 WO disclosed