SCHEMBL2910876

SCHEMBL2910876

CN(C)c1ccc(-c2cc(C(=O)O)nn2-c2ccc(Cl)nn2)cc1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RPA1 P27694 10/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
PPP1CA P62136 3/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ATM Q13315 1/20 0.46
KDM5A P29375 1/20 0.45
KDM4C Q9H3R0 1/20 0.45
KDM5B Q9UGL1 1/20 0.45
MARS1 P56192 2/20 0.44
MALT1 Q9UDY8 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
SCHEMBL2910701 0.88 SMN1; SMN2 (0.47) RPA1SMN1; SMN2MEN1KMT2AKDM5A
SCHEMBL27638722 0.85 RPA1 (0.61) RPA1SMN1; SMN2PPP1CAL3MBTL1MEN1
SCHEMBL2912938 0.85 RPA1 (0.48) RPA1SMN1; SMN2PPP1CAL3MBTL1KDM5A
SCHEMBL5270007 0.81 PPP1CA (0.47) RPA1SMN1; SMN2PPP1CAL3MBTL1MEN1
SCHEMBL5269052 0.79 RPA1 (0.44) RPA1SMN1; SMN2PPP1CAL3MBTL1MEN1
SCHEMBL27668671 0.74 SMN1; SMN2 (0.43) RPA1SMN1; SMN2PPP1CAL3MBTL1MEN1
SCHEMBL27648500 0.74 PPP1CA (0.45) RPA1SMN1; SMN2PPP1CAL3MBTL1MEN1
SCHEMBL5976456 0.73 MARS1 (0.49) RPA1SMN1; SMN2PPP1CAL3MBTL1MEN1
SCHEMBL27619816 0.73 RPA1 (0.45) RPA1SMN1; SMN2PPP1CAL3MBTL1MEN1
SCHEMBL2919032 0.73 CA9 (0.57) KMT2A

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-1591443-B1 PYRAZOLE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2010-08-25 EP disclosed