SCHEMBL29898019

SCHEMBL29898019

C[C@@H](N[S@@+]([O-])C(C)(C)C)c1cccc(C(F)(F)CCC2CN(C(=O)OC(C)(C)C)C2)c1F

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 1/20 0.37
▸ KAT6A Q92794 1/20 0.36
▸ KAT5 Q92993 1/20 0.36
▸ GPR119 Q8TDV5 5/20 0.35
▸ EPHX2 P34913 1/20 0.34
▸ ALOX5AP P20292 1/20 0.34
▸ FEN1 P39748 1/20 0.34
▸ SOS1 Q07889 3/20 0.34
▸ ADORA2A P29274 1/20 0.34
▸ ADORA2B P29275 1/20 0.34
▸ ADORA1 P30542 1/20 0.34
▸ TACR1 P25103 1/20 0.33
▸ USP30 Q70CQ3 1/20 0.33
▸ PLK1 P53350 1/20 0.33
▸ ACKR3 P25106 1/20 0.33
▸ RORC P51449 1/20 0.33
▸ KAT7 O95251 1/20 0.33
▸ KAT8 Q9H7Z6 1/20 0.33

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
SCHEMBL25472502 1.00 NAMPT (0.37) NAMPTKAT6AKAT5GPR119EPHX2
SCHEMBL26610940 0.91 NAMPT (0.38) NAMPTKAT6AKAT5GPR119ALOX5AP
SCHEMBL26610938 0.91 NAMPT (0.38) NAMPTKAT6AKAT5GPR119ALOX5AP
SCHEMBL26610939 0.91 NAMPT (0.38) NAMPTKAT6AKAT5GPR119ALOX5AP
SCHEMBL25094741 0.84 NAMPT (0.39) NAMPTKAT6AKAT5GPR119ALOX5AP
SCHEMBL26728704 0.83 NAMPT (0.38) NAMPTKAT6AKAT5GPR119EPHX2
SCHEMBL26696289 0.83 NAMPT (0.38) NAMPTKAT6AKAT5GPR119EPHX2
SCHEMBL27138352 0.83 NAMPT (0.38) NAMPTKAT6AKAT5GPR119EPHX2
SCHEMBL23326529 0.78 GPR119 (0.36) GPR119SOS1USP30
SCHEMBL23326528 0.78 GPR119 (0.36) GPR119SOS1USP30

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-2022187411-A1 HETEROCYCLES AND USES THEREOF KUMQUAT BIOSCIENCES INC. (US) 2022-09-09 — — WO disclosed
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