SCHEMBL29208724

SCHEMBL29208724

CCOC(=O)C1=C(C)CN(c2ncc(C(F)(F)F)cn2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ HPGD P15428 2/20 0.46
▸ RECQL P46063 2/20 0.44
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ PPARG P37231 1/20 0.41
▸ PPARD Q03181 1/20 0.41
▸ PPARA Q07869 1/20 0.41
▸ MAPT P10636 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ POLB P06746 3/20 0.39
▸ GAA P10253 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ USP2 O75604 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ KDM4E B2RXH2 3/20 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
SCHEMBL29208796 0.84 PPARG (0.42) SMN1; SMN2HPGDRECQLMEN1KMT2A
SCHEMBL29208797 0.83 SMN1; SMN2 (0.40) SMN1; SMN2HPGDRECQLMEN1KMT2A
SCHEMBL26127561 0.75 SMN1; SMN2 (0.46) SMN1; SMN2HPGDRECQLMEN1KMT2A
SCHEMBL9400930 0.75 SMN1; SMN2 (0.71) SMN1; SMN2HPGDMEN1KMT2APPARG
SCHEMBL26120396 0.73 SMN1; SMN2 (0.44) SMN1; SMN2HPGDRECQLMEN1KMT2A
SCHEMBL29168931 0.73 PPARG (0.48) SMN1; SMN2HPGDRECQLMEN1KMT2A
SCHEMBL29208723 0.73 SMN1; SMN2 (0.44) SMN1; SMN2HPGDRECQLMEN1KMT2A
SCHEMBL26123468 0.71 GPR119 (0.48) SMN1; SMN2HPGDRECQLMEN1KMT2A
SCHEMBL26124908 0.71 SMN1; SMN2 (0.46) SMN1; SMN2HPGDRECQLMEN1KMT2A
SCHEMBL31647906 0.70 SMN1; SMN2 (0.46) SMN1; SMN2HPGDRECQLMEN1KMT2A

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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