SCHEMBL6151802

SCHEMBL6151802

C=Cc1cccc(N2NC=C(c3ccccc3)O2)c1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 1/20 0.39
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
PTGS2 P35354 1/20 0.35
TP53 P04637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
BRD2 P25440 1/20 0.31

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
SCHEMBL7627204 0.82 ALDH1A1 (0.36) GRM1ALDH1A1TSHRPTGS2
SCHEMBL826377 0.80 ALDH1A1 (0.32) ALDH1A1
SCHEMBL6542091 0.77 HSP90AA1 (0.34) ALDH1A1
SCHEMBL16781955 0.74 FAAH (0.40) ALDH1A1TSHRTP53TDP1
SCHEMBL3988256 0.73 ALDH1A1 (0.41) ALDH1A1TP53TDP1
SCHEMBL6542089 0.69 HTR3E (0.33) ALDH1A1TSHR
SCHEMBL30618844 0.66 ALDH1A1 (0.59) ALDH1A1TSHRPTGS2TP53TDP1
SCHEMBL714226 0.66 ALDH1A1 (0.59) ALDH1A1TSHRPTGS2TP53TDP1
SCHEMBL360183 0.65 CYP19A1 (0.40) ALDH1A1TDP1
SCHEMBL8757855 0.64 ALDH1A1 (0.56) ALDH1A1TSHRPTGS2TP53TDP1

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-1183287-B1 ORGANIC SEMICONDUCTORS BASED ON STATISTICAL COPOLYMERS QINETIQ LTD (GB) 2005-01-26 EP disclosed
US-6642332-B1 N-heterocyclic hole and electron transporting groups linked to vinyl group of addition polymers; electronic work function; charge carrier mobility; controlled emmission; storage stability; film-forming; light emitting diode QINETIQ LIMITED (GB) 2003-11-04 US disclosed
EP-1183287-A1 ORGANIC SEMICONDUCTORS BASED ON STATISTICAL COPOLYMERS QinetiQ Limited (GB) 2002-03-06 EP disclosed
WO-2000069931-A1 ORGANIC SEMICONDUCTORS BASED ON STATISTICAL COPOLYMERS QINETIQ LIMITED (GB) 2000-11-23 WO disclosed