SCHEMBL744044

SCHEMBL744044

CCCC(C(=O)O)c1cccnc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 4/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
LMNA P02545 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
GRM8 O00222 1/20 0.46
GRM4 Q14833 1/20 0.46
CFTR P13569 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
SLC6A3 Q01959 1/20 0.44
GOPC Q9HD26 1/20 0.44
KCNN4 O15554 1/20 0.44
KCNA5 P22460 1/20 0.44
EPHX2 P34913 3/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43

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
SCHEMBL8461393 0.91 TBXAS1 (0.49) TBXAS1SMN1; SMN2LMNAL3MBTL1GRM8
SCHEMBL28368180 0.88 TBXAS1 (0.53) TBXAS1SMN1; SMN2LMNAL3MBTL1GRM8
SCHEMBL235125 0.87 SMN1; SMN2 (0.50) TBXAS1SMN1; SMN2LMNAL3MBTL1GRM8
SCHEMBL29852444 0.87 SMN1; SMN2 (0.50) TBXAS1SMN1; SMN2LMNAL3MBTL1GRM8
SCHEMBL11004067 0.86 SMN1; SMN2 (0.47) TBXAS1SMN1; SMN2LMNAL3MBTL1GRM8
SCHEMBL20213798 0.85 TBXAS1 (0.49) TBXAS1SMN1; SMN2LMNAL3MBTL1GRM8
SCHEMBL19463451 0.83 TBXAS1 (0.50) TBXAS1SMN1; SMN2LMNAL3MBTL1GRM8
SCHEMBL19463449 0.83 TBXAS1 (0.50) TBXAS1SMN1; SMN2LMNAL3MBTL1GRM8
SCHEMBL25287082 0.81 SMN1; SMN2 (0.50) TBXAS1SMN1; SMN2LMNAL3MBTL1GRM8
SCHEMBL31038319 0.81 SMN1; SMN2 (0.50) TBXAS1SMN1; SMN2LMNAL3MBTL1GRM8

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-2430029-A1 THIENO [2, 3-B]PYRIDINE DERIVATIVES AS VIRAL REPLICATION INHIBITORS Katholieke Universiteit Leuven (BE) 2012-03-21 EP disclosed
EP-0397044-A2 Arylsulfonamides, medicines containing these compounds and process for their preparation Dr. Karl Thomae GmbH (DE) 1990-11-14 EP disclosed
US-4632925-A INSULIN LOWERING ACTIVITY HOFFMANN-LA ROCHE INC. (US) 1986-12-30 US disclosed
US-4551460-A ANTICOAGULANTS, CARDIOVASCULAR DISORDERS HOFFMANN-LA ROCHE INC. (US) 1985-11-05 US disclosed