SCHEMBL8304692

SCHEMBL8304692

Cc1c(-n2nn[nH]c2=O)ccn1C

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.37
KDM6A O15550 1/20 0.37
KDM4A O75164 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
KDM5C P41229 1/20 0.37
KDM2B Q8NHM5 1/20 0.37
DOHH Q9BU89 1/20 0.37
KDM2A Q9Y2K7 1/20 0.37
CRBN Q96SW2 1/20 0.35

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
SCHEMBL8303561 0.77 CRBN (0.35) KDM4EKDM6AKDM4ACYP2C9CYP2C19
SCHEMBL8307507 0.73 PRMT5 (0.33) KDM4E
SCHEMBL5906376 0.72 ALDH1A1 (0.44) CRBN
SCHEMBL8308197 0.71 ALDH1A1 (0.37) KDM4ECRBN
SCHEMBL8977224 0.70 TDP1 (0.43)
SCHEMBL8303401 0.70 KDM4E (0.31) KDM4E
SCHEMBL8303900 0.70 MAPT (0.36) KDM4E
SCHEMBL8305979 0.70 KDM4E (0.34) KDM4ECYP2C9CYP2C19
SCHEMBL8977342 0.70 NPSR1 (0.45) KDM4E
SCHEMBL8308731 0.70 CYP3A4 (0.36)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0695748-B1 Tetrazolinone herbicides BAYER AGROCHEM KK (JP) 1999-05-06 EP disclosed
US-5589439-A HERBICIDES NIHON BAYER AGROCHEM K.K. (JP) 1996-12-31 US disclosed
EP-0695748-A1 Tetrazolinone herbicides NIHON BAYER AGROCHEM K.K. (JP) 1996-02-07 EP disclosed