SCHEMBL9693887

SCHEMBL9693887

CCOC(=O)c1cnc2c(c1Cl)COCCC2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.42
PDE4B Q07343 3/20 0.42
KDM4E B2RXH2 6/20 0.42
MEN1 O00255 2/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
PKM P14618 1/20 0.40
ACHE P22303 4/20 0.39
LMNA P02545 2/20 0.39
ALDH1A1 P00352 3/20 0.39
NPSR1 Q6W5P4 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
GLA P06280 2/20 0.38
GAA P10253 2/20 0.38
HPGD P15428 2/20 0.38
HSD17B10 Q99714 2/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 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
SCHEMBL9693311 0.93 KMT2A (0.44) KMT2APDE4BKDM4EMEN1NPC1
SCHEMBL10564966 0.85 KMT2A (0.45) KMT2APDE4BKDM4EMEN1NPC1
SCHEMBL2293526 0.85 ACHE (0.49) KMT2AKDM4EMEN1NPC1RAB9A
SCHEMBL9693691 0.85 ACHE (0.49) KMT2APDE4BKDM4EMEN1NPC1
SCHEMBL9685361 0.84 ACHE (0.50) KMT2AKDM4EMEN1NPC1RAB9A
SCHEMBL9687387 0.84 ACHE (0.50) KMT2AKDM4EMEN1NPC1RAB9A
SCHEMBL9686312 0.84 ACHE (0.50) KMT2AKDM4EMEN1NPC1RAB9A
SCHEMBL9693236 0.84 ACHE (0.50) KMT2AKDM4EMEN1NPC1RAB9A
SCHEMBL7303859 0.79 PDE4B (0.44) KMT2APDE4BKDM4EMEN1NPC1
SCHEMBL9693220 0.79 KMT2A (0.45) KMT2AKDM4EMEN1NPC1RAB9A

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