SCHEMBL6152868

SCHEMBL6152868

C=Cc1ccc(N2NC=C(c3ccccc3)O2)cc1

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
TSHR P16473 1/20 0.38
GRM1 Q13255 1/20 0.36
POLB P06746 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
SCHEMBL7627204 0.97 ALDH1A1 (0.36) ALDH1A1TSHRGRM1POLB
SCHEMBL6151802 0.84 GRM1 (0.39) ALDH1A1TSHRGRM1
SCHEMBL16781955 0.84 FAAH (0.40) ALDH1A1TSHR
SCHEMBL6542091 0.84 HSP90AA1 (0.34) ALDH1A1
SCHEMBL826377 0.84 ALDH1A1 (0.32) ALDH1A1POLB
SCHEMBL3988256 0.80 ALDH1A1 (0.41) ALDH1A1
SCHEMBL6542089 0.75 HTR3E (0.33) ALDH1A1TSHRPOLB
SCHEMBL9097909 0.70 ESR1 (0.34) ALDH1A1
SCHEMBL8758080 0.66 ALDH1A1 (0.68) ALDH1A1TSHRPOLB
SCHEMBL15056 0.66 ALDH1A1 (0.68) ALDH1A1TSHRPOLB

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