SCHEMBL2185277

SCHEMBL2185277

C=CCONC(=O)CC=C

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.37
CACNA1B Q00975 1/20 0.37
APBA1 Q02410 1/20 0.37
ALDH1A1 P00352 3/20 0.33
CYP3A4 P08684 1/20 0.31
TSHR P16473 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CCNA2 P20248 1/20 0.30
CDK2 P24941 1/20 0.30
CCNA1 P78396 1/20 0.30
CDK5 Q00535 1/20 0.30
CDK5R1 Q15078 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
SCHEMBL28510539 0.80
SCHEMBL873544 0.76
SCHEMBL1894433 0.76
SCHEMBL694328 0.76
SCHEMBL873545 0.74
SCHEMBL11112641 0.74 TSHR (0.47) MAPTALDH1A1TSHRSMN1; SMN2
SCHEMBL9442160 0.73 MAPT (0.37) MAPTCACNA1BAPBA1ALDH1A1CYP3A4
SCHEMBL28198217 0.73 MAPT (0.46) MAPTCACNA1BAPBA1ALDH1A1CYP3A4
SCHEMBL11112620 0.71 FAAH (0.57) ALDH1A1TSHR
SCHEMBL700525 0.70

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-2346507-A1 USE OF QUINAZOLINE DERIVATIVES FOR THE TREATMENT OF VIRAL DISEASES Boehringer Ingelheim International GmbH (DE) 2011-07-27 EP claimed
WO-2010026029-A1 USE OF QUINAZOLINE DERIVATIVES FOR THE TREATMENT OF VIRAL DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-03-11 WO claimed
EP-2346507-A1 USE OF QUINAZOLINE DERIVATIVES FOR THE TREATMENT OF VIRAL DISEASES Boehringer Ingelheim International GmbH (DE) 2011-07-27 EP disclosed
WO-2010026029-A1 USE OF QUINAZOLINE DERIVATIVES FOR THE TREATMENT OF VIRAL DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-03-11 WO disclosed