SCHEMBL7809115

SCHEMBL7809115

Cn1[nH]c(-c2ccccc2F)cc1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM5B Q9UGL1 2/20 0.47
KDM5A P29375 1/20 0.47
KDM4C Q9H3R0 1/20 0.47
LDHA P00338 1/20 0.46
NOX4 Q9NPH5 2/20 0.41
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
PTPRC P08575 1/20 0.38
PTPN1 P18031 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
CASP3 P42574 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
TNKS O95271 1/20 0.37
TNKS2 Q9H2K2 1/20 0.37

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
SCHEMBL31081342 1.00 KDM5B (0.47) KDM5BKDM5AKDM4CLDHANOX4
SCHEMBL175148 0.81 NOX4 (0.35) KDM5BKDM5AKDM4CLDHANOX4
SCHEMBL17290637 0.81 RAB9A (0.49) POLBMAPTHPGDSMN1; SMN2NPSR1
SCHEMBL17291030 0.79 HSD11B1 (0.45)
SCHEMBL17290488 0.77 MPO (0.50) PTPRCPTPN1MAPTHPGDSMN1; SMN2
SCHEMBL4309468 0.74 MEN1 (0.58) LDHANOX4ADORA2AADORA1POLB
SCHEMBL5394842 0.71 MAPT (0.52) LDHAADORA2AADORA1POLBMAPT
SCHEMBL7167710 0.71 GRIN2D (0.34) NOX4POLBMAPTHPGD
SCHEMBL23402302 0.68 LDHA (0.48) KDM5BLDHANOX4POLBMAPT
SCHEMBL2197780 0.67 KDM5B (0.43) KDM5BKDM5AKDM4CLDHAADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0663395-B1 3-(phenylalkylaminoalkyloxy)-5-phenylpyrazole derivatives, process and intermediates for their preparation and their use as cardiac rhythm reduction agent SOLVAY PHARM GMBH (DE) 2001-05-16 EP disclosed
US-5679699-A ANTIISCHEMIC AGENTS, HEART RATE LOWERING AGENTS KALI-CHEMIE PHARMA GMBH (DE) 1997-10-21 US disclosed
US-5547967-A HYPOTENSIVE AGENT, ANTIISCHEMIC AGENT KALI-CHEMIE PHARMA GMBH (DE) 1996-08-20 US disclosed
EP-0663395-A1 3-(phenylalkylaminoalkyloxy)-5-phenylpyrazole derivatives, process and intermediates for their preparation and their use as cardiac rhythm reduction agent Kali-Chemie Pharma GmbH (DE) 1995-07-19 EP disclosed