SCHEMBL9691696

SCHEMBL9691696

COC(=O)N1CC=C(N2CCCC2)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 5/20 0.39
KMT2A Q03164 3/20 0.39
MAPT P10636 2/20 0.39
CYP3A4 P08684 9/20 0.37
CYP2C19 P33261 5/20 0.37
HIF1A Q16665 3/20 0.37
MAPK1 P28482 4/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MEN1 O00255 1/20 0.37
HSD17B10 Q99714 7/20 0.36
USP2 O75604 3/20 0.36
CYP2C9 P11712 4/20 0.36
CYP1A2 P05177 4/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 3/20 0.35
CYP2D6 P10635 2/20 0.35
HPGD P15428 2/20 0.35
PKM P14618 1/20 0.35
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL11090300 0.85 L3MBTL1 (0.39) L3MBTL1ALDH1A1KMT2AMAPTCYP3A4
SCHEMBL11394005 0.84 MAPT (0.43) L3MBTL1ALDH1A1KMT2AMAPTMAPK1
SCHEMBL13536722 0.79 CYP3A4 (0.40) ALDH1A1KMT2AMAPTCYP3A4CYP2C19
SCHEMBL11082543 0.70 MAPT (0.42) L3MBTL1ALDH1A1KMT2AMAPTMAPK1
SCHEMBL2582180 0.69 QDPR (0.44) ALDH1A1KMT2AMAPTCYP3A4CYP2C19
SCHEMBL31078567 0.69 L3MBTL1 (0.35) L3MBTL1ALDH1A1KMT2AMAPTCYP3A4
SCHEMBL1016428 0.69 PDK4 (0.47) SMN1; SMN2USP2HPGD
SCHEMBL2263812 0.69
SCHEMBL8663120 0.68 F13A1 (0.35) L3MBTL1ALDH1A1KMT2AMAPTCYP3A4
SCHEMBL3549997 0.68 CYP2D6 (0.37) L3MBTL1ALDH1A1KMT2AMAPTCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0168350-B1 Certain ring-fused pyrazolo [3,4-d]-pyridin-3-one derivatives CIBA-GEIGY AG (CH) 1992-05-06 EP disclosed
US-4814450-A CENTRAL NERVOUS SYSTEM DISORDERS CIBA-GEIGY CORPORATION (US) 1989-03-21 US disclosed
US-4740512-A Treating anxiety with certain ring-fused pyrazolo[3,4-d]-pyridin-3-one derivatives CIBA-GEIGY CORPORATION (US) 1988-04-26 US disclosed
US-4647566-A Certain ring-fused pyrazolo[3,4-d]-pyridin-3-one derivatives in treating anxiety CIBA-GEIGY CORPORATION (US) 1987-03-03 US disclosed
US-4602014-A NERVOUS SYSTEM DISORDERS CIBA-GEIGY CORPORATION (US) 1986-07-22 US disclosed
EP-0168350-A2 Certain ring-fused pyrazolo [3,4-d]-pyridin-3-one derivatives CIBA-GEIGY AG (CH) 1986-01-15 EP disclosed