SCHEMBL29331744

SCHEMBL29331744

Cc1c(OC(C)c2ccc(C(F)(F)F)cc2)ccnc1Cl

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 1/20 0.38
▸ CYP19A1 P11511 1/20 0.35
▸ HDAC1 Q13547 1/20 0.34
▸ HDAC8 Q9BY41 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34
▸ HDAC5 Q9UQL6 1/20 0.34
▸ PDE2A O00408 2/20 0.34
▸ SLC6A4 P31645 6/20 0.34
▸ HTR2C P28335 3/20 0.34
▸ HTR2B P41595 3/20 0.34
▸ HTR6 P50406 2/20 0.34
▸ HTR2A P28223 1/20 0.34
▸ HRH4 Q9H3N8 1/20 0.33
▸ CNR1 P21554 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
SCHEMBL29331955 0.83 GRM2 (0.36) PTGDR2CYP19A1PDE2AHRH4CNR1
SCHEMBL29331747 0.82 PPARG (0.40) PTGDR2CNR1
SCHEMBL29331748 0.80 KCNH2 (0.41) SLC6A4HTR2A
SCHEMBL29331660 0.74 CYP11B1 (0.45) CYP19A1
SCHEMBL29331746 0.69 DAO (0.38) CYP19A1SLC6A4HTR2A
SCHEMBL12784515 0.66 PDE2A (0.47) PDE2A
SCHEMBL4073435 0.66 DOT1L (0.39) —
SCHEMBL22686159 0.66 KCNH2 (0.42) SLC6A4HTR2A
SCHEMBL84043 0.65 PDE2A (0.53) PDE2A
SCHEMBL5030111 0.65 PIK3CD (0.34) HDAC6

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
Send feedback