SCHEMBL29208723

SCHEMBL29208723

CCOC(=O)C1CCN(c2ncc(C(F)(F)F)cn2)CC1=O

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ HPGD P15428 1/20 0.44
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ GPR119 Q8TDV5 3/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ PPARG P37231 1/20 0.40
▸ PPARD Q03181 1/20 0.40
▸ PPARA Q07869 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ SLC6A9 P48067 1/20 0.39
▸ RECQL P46063 1/20 0.39
▸ TIPARP Q7Z3E1 6/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.38

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
SCHEMBL20565606 0.87 RIPK1 (0.39) SMN1; SMN2HPGDMEN1KMT2AALDH1A1
SCHEMBL26124908 0.78 SMN1; SMN2 (0.46) SMN1; SMN2HPGDMEN1KMT2AGPR119
SCHEMBL26123468 0.76 GPR119 (0.48) SMN1; SMN2HPGDMEN1KMT2AGPR119
SCHEMBL25075358 0.76 LCAT (0.41) GPR119KDM4ESLC6A9TIPARP
SCHEMBL23296594 0.74 TIPARP (0.39) SMN1; SMN2HPGDMEN1KMT2AGPR119
SCHEMBL23296596 0.74 TIPARP (0.39) SMN1; SMN2HPGDMEN1KMT2AGPR119
SCHEMBL9400930 0.73 SMN1; SMN2 (0.71) SMN1; SMN2HPGDMEN1KMT2AGPR119
SCHEMBL25767140 0.73 OPRK1 (0.46) SMN1; SMN2HPGDMEN1KMT2AALDH1A1
SCHEMBL25075310 0.73 CXCR3 (0.39) GPR119TIPARP
SCHEMBL29208724 0.73 SMN1; SMN2 (0.46) SMN1; SMN2HPGDMEN1KMT2AALDH1A1

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-117777099-A PARP7 inhibitors and uses thereof 诺沃斯达药业(上海)有限公司 2024-03-29 — — CN disclosed
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