SCHEMBL24418132

SCHEMBL24418132

COc1ccc(NC(=O)N2CCC(C)(I)CC2)cc1

nearest known ligand 0.73

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.73
▸ CYP1A2 P05177 6/20 0.70
▸ CYP2D6 P10635 4/20 0.70
▸ TSHR P16473 1/20 0.70
▸ KMT2A Q03164 2/20 0.68
▸ SMN1; SMN2 Q16637 3/20 0.68
▸ BLM P54132 1/20 0.64
▸ ALDH1A1 P00352 4/20 0.64
▸ CYP2C9 P11712 2/20 0.64
▸ CYP2C19 P33261 2/20 0.64
▸ CYP3A4 P08684 6/20 0.61
▸ USP2 O75604 5/20 0.61
▸ MAPK1 P28482 1/20 0.61
▸ HIF1A Q16665 1/20 0.58
▸ TAS1R3 Q7RTX0 1/20 0.57
▸ TAS1R1 Q7RTX1 1/20 0.57
▸ TAS1R2 Q8TE23 1/20 0.57

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
SCHEMBL28869329 0.85 MAPT (1.00) MAPTCYP1A2CYP2D6TSHRKMT2A
SCHEMBL4559572 0.82 SMN1; SMN2 (0.91) MAPTCYP1A2CYP2D6TSHRKMT2A
SCHEMBL8361624 0.82 SMN1; SMN2 (0.97) MAPTCYP1A2CYP2D6TSHRKMT2A
SCHEMBL5195426 0.81 SMN1; SMN2 (1.00) MAPTCYP1A2CYP2D6TSHRKMT2A
SCHEMBL3949148 0.80 MAPT (0.88) MAPTCYP1A2CYP2D6TSHRKMT2A
SCHEMBL3949152 0.80 MAPT (0.88) MAPTCYP1A2CYP2D6TSHRKMT2A
SCHEMBL20236897 0.80 MAPT (0.88) MAPTCYP1A2CYP2D6TSHRKMT2A
SCHEMBL20236181 0.78 MAPT (0.79) MAPTCYP1A2CYP2D6TSHRKMT2A
SCHEMBL5458965 0.78 MAPT (0.79) MAPTCYP1A2CYP2D6TSHRKMT2A
SCHEMBL13234918 0.78 BLM (1.00) MAPTTSHRKMT2ASMN1; SMN2BLM

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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