SCHEMBL30829463

SCHEMBL30829463

COC(=O)c1c(-c2cccc(F)c2)c(C)nn1-c1nc(-c2ccc(C(F)(F)F)cc2)c(CCC(=O)O)s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 4/20 0.44
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.41
PPARD Q03181 4/20 0.39
PPARG P37231 2/20 0.39
PPARA Q07869 2/20 0.39
FFAR1 O14842 1/20 0.39
MAPT P10636 4/20 0.36
GAA P10253 2/20 0.36
FFAR4 Q5NUL3 1/20 0.36
DHODH Q02127 1/20 0.36
PTGER1 P34995 1/20 0.36
LMNA P02545 2/20 0.36
GCGR P47871 1/20 0.36
TP53 P04637 1/20 0.36
HPGD P15428 2/20 0.35
CYP1A2 P05177 1/20 0.35

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
SCHEMBL20214496 1.00 PTGDR2 (0.44) PTGDR2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL20214285 0.91 ALDH1A1 (0.38) PTGDR2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL20214519 0.87 ALDH1A1 (0.43) PTGDR2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL29579668 0.87 ALDH1A1 (0.43) PTGDR2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL20213971 0.86 ALDH1A1 (0.45) PTGDR2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL29579216 0.86 ALDH1A1 (0.45) PTGDR2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL28343983 0.86 ALDH1A1 (0.41) PTGDR2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL20214200 0.86 THRB (0.44) PTGDR2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL20214015 0.85 ALDH1A1 (0.44) PTGDR2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL29580423 0.85 ALDH1A1 (0.44) PTGDR2ALDH1A1KDM4EMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118930533-A Substituted pyrazole compounds and methods of using the same for treating hyperproliferative diseases 班塔姆制药有限责任公司 2024-11-12 CN disclosed
CN-110603254-B Substituted pyrazole compounds and methods of using the same for treating hyperproliferative diseases 班塔姆制药有限责任公司 2024-04-12 CN disclosed