SCHEMBL25223628

SCHEMBL25223628

CSc1nc2c(F)c(I)c(F)cc2[nH]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRL1 P41146 1/20 0.41
▸ HPGD P15428 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ CBFB Q13951 2/20 0.35
▸ KDM4E B2RXH2 2/20 0.34
▸ CSNK2A2 P19784 1/20 0.34
▸ CSNK2B P67870 1/20 0.34
▸ CSNK2A1 P68400 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ MAPK14 Q16539 6/20 0.33
▸ MAPK13 O15264 5/20 0.33
▸ MAPK12 P53778 5/20 0.33
▸ MAPK11 Q15759 5/20 0.33
▸ LMNA P02545 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ NPC1 O15118 1/20 0.30
▸ HRH4 Q9H3N8 1/20 0.30
▸ PTGS1 P23219 1/20 0.30
▸ PTGS2 P35354 1/20 0.30

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
SCHEMBL24463056 0.78 HTT (0.43) HPGDALDH1A1CBFBKDM4ECSNK2A1
SCHEMBL19884927 0.73 OPRL1 (0.56) OPRL1HPGDALDH1A1SMN1; SMN2CBFB
SCHEMBL24463570 0.72 CSNK2A1 (0.46) HPGDALDH1A1SMN1; SMN2CBFBKDM4E
SCHEMBL2439652 0.72 CSNK2A1 (0.37) HPGDALDH1A1CBFBCSNK2A1PTGS1
SCHEMBL3828091 0.70 OPRL1 (0.60) OPRL1HPGDALDH1A1SMN1; SMN2CBFB
SCHEMBL24463149 0.70 ALDH1A1 (0.39) HPGDALDH1A1MAPTNPC1
SCHEMBL14502998 0.67 OPRL1 (0.56) OPRL1HPGDALDH1A1SMN1; SMN2KDM4E
SCHEMBL30389924 0.63 MAPT (0.42) HPGDALDH1A1SMN1; SMN2KDM4ECSNK2A2
SCHEMBL16089559 0.63 MAPT (0.42) HPGDALDH1A1SMN1; SMN2KDM4ECSNK2A2
SCHEMBL17073311 0.62 HPGD (0.57) OPRL1HPGDALDH1A1SMN1; SMN2MAPT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023097187-A1 AMPK ACTIVATORS KALLYOPE, INC. (US) 2023-06-01 — — WO disclosed
WO-2023097187-A1 AMPK ACTIVATORS KALLYOPE, INC. (US) 2023-06-01 — — WO disclosed
WO-2023097189-A1 AMPK ACTIVATORS KALLYOPE, INC. (US) 2023-06-01 — — WO disclosed
WO-2023097189-A1 AMPK ACTIVATORS KALLYOPE, INC. (US) 2023-06-01 — — WO disclosed
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