SCHEMBL17751345

SCHEMBL17751345

CCN(CCON)C1=CC(=O)C(Nc2ccc(ON)c(Cl)c2)=CC1=O

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 1/20 0.33
▸ MAPT P10636 2/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ KDR P35968 2/20 0.31
▸ RORC P51449 1/20 0.31
▸ MEN1 O00255 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ KMT2A Q03164 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
SCHEMBL17751386 0.88 P2RX3 (0.33) P2RX3MAPTMAPK1
SCHEMBL17751353 0.76 — —
SCHEMBL15039426 0.74 DNM1 (0.37) P2RX3MAPTMAPK1MEN1LMNA
SCHEMBL17751351 0.72 — —
SCHEMBL15020967 0.70 MAPT (0.33) MAPTKDRMEN1LMNAKMT2A
SCHEMBL17751379 0.68 STAT3 (0.32) —
SCHEMBL17751360 0.68 HRH3 (0.30) —
SCHEMBL15039277 0.68 ALDH1A1 (0.39) MAPTMEN1KMT2A
SCHEMBL15020510 0.68 DNM1 (0.41) MAPTMAPK1MEN1LMNAKMT2A
SCHEMBL17751368 0.67 DNM1 (0.35) —

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
EP-2791106-B1 PARTICULAR QUINONE DIRECT DYES, DYE COMPOSITION COMPRISING AT LEAST ONE SUCH DYE, IMPLEMENTATION PROCESS THEREFOR AND USE THEROF OREAL (FR) 2016-05-18 — — EP disclosed
Send feedback