SCHEMBL9693650

SCHEMBL9693650

CCOC(=O)c1cnc2c(c1Cl)CCSCC2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.44
MEN1 O00255 4/20 0.44
ALDH1A1 P00352 7/20 0.41
KDM4E B2RXH2 10/20 0.40
HPGD P15428 4/20 0.40
HSD17B10 Q99714 3/20 0.40
GAA P10253 3/20 0.40
LMNA P02545 3/20 0.40
MAPK1 P28482 3/20 0.40
MAPT P10636 3/20 0.40
HTT P42858 3/20 0.40
POLB P06746 2/20 0.40
GLA P06280 1/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
RECQL P46063 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PKM P14618 1/20 0.39
USP2 O75604 1/20 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
SCHEMBL9691658 0.91 KMT2A (0.44) KMT2AMEN1ALDH1A1KDM4EHPGD
SCHEMBL9693691 0.85 ACHE (0.49) KMT2AMEN1ALDH1A1KDM4EHPGD
SCHEMBL2293526 0.85 ACHE (0.49) KMT2AMEN1ALDH1A1KDM4EHPGD
SCHEMBL9693236 0.84 ACHE (0.50) KMT2AMEN1ALDH1A1KDM4EHPGD
SCHEMBL9685361 0.84 ACHE (0.50) KMT2AMEN1ALDH1A1KDM4EHPGD
SCHEMBL9686312 0.84 ACHE (0.50) KMT2AMEN1ALDH1A1KDM4EHPGD
SCHEMBL9687387 0.84 ACHE (0.50) KMT2AMEN1ALDH1A1KDM4EHPGD
SCHEMBL9693220 0.84 KMT2A (0.45) KMT2AMEN1ALDH1A1KDM4EHPGD
SCHEMBL10564966 0.83 KMT2A (0.45) KMT2AMEN1ALDH1A1KDM4EHSD17B10
SCHEMBL9693990 0.82 KMT2A (0.46) KMT2AMEN1ALDH1A1KDM4EHPGD

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