SCHEMBL1739807

SCHEMBL1739807

CCn1nc(C(=O)O)cc1-c1cccc(Cl)c1

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MARS1 P56192 8/20 0.66
PPP1CA P62136 1/20 0.52
KMO O15229 1/20 0.47
P2RY14 Q15391 1/20 0.47
RPA1 P27694 2/20 0.46
MALT1 Q9UDY8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
SLC16A3 O15427 1/20 0.44
SLC16A1 P53985 1/20 0.44
MCTS1 Q9ULC4 1/20 0.44

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
SCHEMBL1738076 0.86 MARS1 (0.64) MARS1RPA1MALT1L3MBTL1
SCHEMBL1738070 0.84 MARS1 (0.53) MARS1KMOP2RY14RPA1SLC16A3
SCHEMBL14758758 0.82 PPP1CA (0.56) MARS1PPP1CAKMORPA1L3MBTL1
SCHEMBL117705 0.80 MARS1 (1.00) MARS1RPA1
SCHEMBL1765063 0.78 PPP1CA (0.82) MARS1PPP1CARPA1L3MBTL1
SCHEMBL1739614 0.77 MARS1 (0.60) MARS1PPP1CAP2RY14RPA1MALT1
SCHEMBL1738072 0.76 MARS1 (0.63) MARS1PPP1CAP2RY14
SCHEMBL1765047 0.76 PPP1CA (0.78) MARS1PPP1CARPA1MALT1L3MBTL1
SCHEMBL4692489 0.74 MARS1 (0.60) MARS1RPA1MALT1L3MBTL1
SCHEMBL1739427 0.74 MARS1 (0.60) MARS1RPA1L3MBTL1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2390252-A1 New pyrazole derivatives Almirall, S.A. (ES) 2011-11-30 EP disclosed