SCHEMBL29331745

SCHEMBL29331745

Cc1c(OCCc2ccc(C(F)(F)F)cc2)cc(C#N)nc1Cl

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 2/20 0.40
▸ CYP11B2 P19099 2/20 0.40
▸ CYP19A1 P11511 1/20 0.40
▸ PPARA Q07869 4/20 0.38
▸ PPARD Q03181 3/20 0.38
▸ PTGES O14684 3/20 0.38
▸ ALOX5 P09917 3/20 0.38
▸ PPARG P37231 3/20 0.38
▸ MIF P14174 1/20 0.36
▸ PSEN1 P49768 1/20 0.36
▸ MRGPRX4 Q96LA9 2/20 0.35
▸ CNR1 P21554 1/20 0.35
▸ CTSS P25774 1/20 0.35
▸ CTSK P43235 1/20 0.35
▸ PTPN1 P18031 1/20 0.35
▸ DAO P14920 1/20 0.34

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
SCHEMBL30938611 0.78 PPARA (0.39) CYP11B1CYP11B2CYP19A1PPARAPPARD
SCHEMBL29331653 0.78 PPARA (0.39) CYP11B1CYP11B2CYP19A1PPARAPPARD
SCHEMBL29331660 0.77 CYP11B1 (0.45) CYP11B1CYP11B2CYP19A1PPARAPPARD
SCHEMBL29333144 0.75 PTGES (0.44) CYP11B1CYP11B2CYP19A1PPARAPPARD
SCHEMBL29331750 0.69 CYP11B1 (0.40) CYP11B1CYP11B2CYP19A1PPARAPPARD
SCHEMBL17654577 0.69 MRGPRX4 (0.49) CYP11B1CYP11B2CYP19A1PPARAPPARD
SCHEMBL29331710 0.68 MAOB (0.49) MRGPRX4CNR1
SCHEMBL29331743 0.67 HTR2A (0.37) PPARAPPARDPPARGMRGPRX4CTSS
SCHEMBL29331946 0.67 CYP11B1 (0.45) CYP11B1CYP11B2CYP19A1PPARAPPARD
SCHEMBL22894152 0.66 PPARA (0.54) PPARAPPARDPTGESALOX5PPARG

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-2024151919-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY IFM DUE, INC. (US) 2024-07-18 — — WO disclosed
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