SCHEMBL2186346

SCHEMBL2186346

C=CCS(=O)(=O)N1CCOCC1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.48
CA7 P43166 1/20 0.48
CA14 Q9ULX7 1/20 0.48
LMNA P02545 3/20 0.42
SMN1; SMN2 Q16637 5/20 0.42
TSHR P16473 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.36
MAPT P10636 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
SCHEMBL5257406 0.80 KMT2A (0.37) SMN1; SMN2TSHRL3MBTL1ALDH1A1KDM4E
SCHEMBL2185192 0.80 CA1 (0.39) TSHRALDH1A1KDM4EPOLBMAPT
SCHEMBL2185175 0.78 CA1 (0.42) TSHRALDH1A1KDM4EPOLBMAPT
SCHEMBL3591619 0.76 CA12 (0.54) CA12CA7CA14LMNASMN1; SMN2
SCHEMBL27748331 0.76 MAPT (0.39) LMNASMN1; SMN2L3MBTL1ALDH1A1KDM4E
SCHEMBL12821513 0.75 KDM4E (0.42) ALDH1A1KDM4EMAPT
SCHEMBL2187580 0.75 KDM4E (0.42) ALDH1A1KDM4EMAPT
SCHEMBL83829 0.75 MEN1 (0.32)
SCHEMBL7602303 0.75 CA12 (0.59) CA12CA7CA14LMNASMN1; SMN2
SCHEMBL15693585 0.75 CA12 (0.59) CA12CA7CA14LMNASMN1; SMN2

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
US-4021461-A INSECTICIDES ZOECON CORPORATION (US) 1977-05-03 US disclosed
US-4012559-A Radiation curable coating composition and precoated metal having top coat based on the same TORAY INDUSTRIES, INC (JA) 1977-03-15 US disclosed