SCHEMBL9757345

SCHEMBL9757345

CNc1c(OC)c(N)c(OC)c(CCO)c1OC

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 1/20 0.30
IMPDH1 P20839 1/20 0.30

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
SCHEMBL9757485 0.83 IMPDH2 (0.35) IMPDH2IMPDH1
SCHEMBL8432187 0.72 PDE1A (0.36) IMPDH2IMPDH1
SCHEMBL9827344 0.71 IMPDH2 (0.34) IMPDH2IMPDH1
SCHEMBL10530293 0.71 KDM4E (0.32) IMPDH2IMPDH1
SCHEMBL13698320 0.66
SCHEMBL8433353 0.66 PDE1A (0.40)
SCHEMBL7521032 0.65 TDP1 (0.30)
SCHEMBL9398192 0.64 CYP1A2 (0.38)
SCHEMBL11866227 0.63 CYP2D6 (0.36) IMPDH2IMPDH1
SCHEMBL11871207 0.63 IMPDH2 (0.33) IMPDH2IMPDH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5002585-A HAIR DYES, USED WITH PHENYLENEDIAMINES, AMINOPHENOLS AND AMINOPYRIDINES L'OREAL (FR) 1991-03-26 US claimed