SCHEMBL9757485

SCHEMBL9757485

COc1c(N)c(OC)c(CCO)c(OC)c1N

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 1/20 0.35
IMPDH1 P20839 1/20 0.35
CA2 P00918 1/20 0.34
CA4 P22748 1/20 0.34

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
SCHEMBL9757345 0.83 IMPDH2 (0.30) IMPDH2IMPDH1
SCHEMBL8432187 0.83 PDE1A (0.36) IMPDH2IMPDH1CA2CA4
SCHEMBL9827344 0.82 IMPDH2 (0.34) IMPDH2IMPDH1
SCHEMBL10530293 0.82 KDM4E (0.32) IMPDH2IMPDH1
SCHEMBL8433353 0.75 PDE1A (0.40)
SCHEMBL9398192 0.74 CYP1A2 (0.38)
SCHEMBL9820250 0.74 SMN1; SMN2 (0.40) IMPDH2IMPDH1
SCHEMBL11871207 0.72 IMPDH2 (0.33) IMPDH2IMPDH1
SCHEMBL11866227 0.72 CYP2D6 (0.36) IMPDH2IMPDH1
SCHEMBL27299900 0.71 IMPDH2 (0.34) IMPDH2IMPDH1CA2CA4

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 2 patents. 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
EP-0370880-A1 Trialkoxy-substituted m-phenylene diamines, process for their preparation, and their use as coupling agents in the oxidation dyeing of keratinic fibres, especially human hair L'OREAL (FR) 1990-05-30 EP disclosed