SCHEMBL29249014

SCHEMBL29249014

CCC[C@@H](C#N)OC(=O)NCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 1/20 0.46
CYP19A1 P11511 1/20 0.46
MCL1 Q07820 1/20 0.46
PPARG P37231 1/20 0.44
PPARA Q07869 1/20 0.44

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
SCHEMBL18844824 0.81 CTSK (0.51)
SCHEMBL28600679 0.80 MCL1 (0.50) MCL1
SCHEMBL8964840 0.79 TSHR (0.55)
SCHEMBL28600675 0.78 MCL1 (0.48) MCL1
SCHEMBL28919836 0.77 IMPDH2 (0.56)
SCHEMBL27983605 0.77 MCL1 (0.47) UTS2RMCL1
SCHEMBL28605834 0.77 PPARG (0.47) UTS2RPPARGPPARA
SCHEMBL29248973 0.77 PPARG (0.47) UTS2RPPARGPPARA
SCHEMBL8495747 0.76
SCHEMBL10937540 0.76 KMT2A (0.49) MCL1

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
CN-118290403-A Benzamide derivatives of pyrazolyl-amino-pyrimidinyl and compositions and methods thereof 凌科药业(杭州)有限公司 2024-07-05 CN disclosed