SCHEMBL31190893

SCHEMBL31190893

COC(=O)c1ccn2cc(-c3ccccc3-c3ccc(F)cc3F)nc2c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALPL P05186 1/20 0.42
FFAR1 O14842 2/20 0.42
ALDH1A1 P00352 2/20 0.41
ALDH1A3 P47895 2/20 0.41
ALDH1A2 O94788 1/20 0.41
TLR9 Q9NR96 1/20 0.40
TLR7 Q9NYK1 1/20 0.40
S1PR1 P21453 1/20 0.40
S1PR3 Q99500 1/20 0.40
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
MAPT P10636 2/20 0.39
SUV39H2 Q9H5I1 2/20 0.38
F2RL3 Q96RI0 1/20 0.38
CASP6 P55212 1/20 0.38
MAPK14 Q16539 4/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL31190897 0.90 SUV39H2 (0.41) ALDH1A1ALDH1A3ALDH1A2S1PR1S1PR3
SCHEMBL31190882 0.89 ALPL (0.40) ALPLFFAR1ALDH1A1ALDH1A3ALDH1A2
SCHEMBL31190891 0.87 S1PR1 (0.44) FFAR1ALDH1A1TLR9TLR7S1PR1
SCHEMBL16003620 0.86 FFAR1 (0.47) ALPLFFAR1ALDH1A1ALDH1A3NPC1
SCHEMBL31298353 0.84 SUV39H2 (0.43) FFAR1ALDH1A1ALDH1A3TLR9TLR7
SCHEMBL31190906 0.83 HPGDS (0.42) FFAR1TLR9TLR7S1PR1S1PR3
SCHEMBL31190943 0.82 RAB9A (0.45) ALPLFFAR1ALDH1A1ALDH1A3ALDH1A2
SCHEMBL31091930 0.82 SUV39H2 (0.43) FFAR1ALDH1A1ALDH1A3NPC1RAB9A
SCHEMBL31298258 0.81 NPC1 (0.42) FFAR1ALDH1A1ALDH1A3ALDH1A2NPC1
SCHEMBL31091934 0.80 NPC1 (0.41) ALDH1A1ALDH1A3ALDH1A2TLR9TLR7

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