SCHEMBL24418129

SCHEMBL24418129

CCc1ccc(S(=O)(=O)N2C(CCCCN(C)C)COC23CCN(C)CC3)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 2/20 0.40
▸ HTR2C P28335 2/20 0.40
▸ NPC1 O15118 2/20 0.34
▸ HSD11B1 P28845 2/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ USP2 O75604 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ OPRM1 P35372 1/20 0.33
▸ OPRD1 P41143 1/20 0.33
▸ UBE2N P61088 1/20 0.33
▸ KMT2A Q03164 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ NPBWR1 P48145 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ MCHR1 Q99705 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ ATM Q13315 1/20 0.31
▸ FKBP1A P62942 1/20 0.31

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
SCHEMBL12623907 0.88 LMNA (0.43) NPC1ALDH1A1SMN1; SMN2UBE2NKMT2A
SCHEMBL23160703 0.87 NPC1 (0.41) NPC1HSD11B1ALDH1A1USP2SMN1; SMN2
SCHEMBL12622192 0.80 ALDH1A1 (0.45) NPC1ALDH1A1USP2SMN1; SMN2UBE2N
SCHEMBL12623894 0.76 ALDH1A1 (0.42) NPC1ALDH1A1SMN1; SMN2KMT2ALMNA
SCHEMBL24418076 0.63 ALDH1A1 (0.42) NPC1HSD11B1ALDH1A1USP2SMN1; SMN2
SCHEMBL12623893 0.62 ALDH1A1 (0.46) NPC1HSD11B1ALDH1A1USP2SMN1; SMN2
SCHEMBL12189230 0.62 SMN1; SMN2 (0.78) ALDH1A1USP2SMN1; SMN2KMT2AMEN1
SCHEMBL12656404 0.62 LIMK2 (0.45) —
SCHEMBL25493808 0.61 L3MBTL1 (0.53) ALDH1A1USP2SMN1; SMN2L3MBTL1
SCHEMBL23160508 0.61 ALDH1A1 (0.41) NPC1ALDH1A1SMN1; SMN2KMT2AMEN1

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-2022098700-A1 INHIBITING AN IMMUNE RESPONSE MEDIATED BY ONE OR MORE OF TLR2, RAGE, CCR5, CXCR4 AND CD4 CASSAVA SCIENCES, INC. (US) 2022-05-12 — — WO disclosed
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