SCHEMBL9905766

SCHEMBL9905766

CC(C)(C)NC(=NC(=O)c1ccc(C(F)(F)F)cc1)Nc1cc(-c2ccccc2OCc2ccccc2)n[nH]1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPIA P62937 2/20 0.40
MAPT P10636 2/20 0.40
POLB P06746 1/20 0.40
PTPN1 P18031 2/20 0.39
PTPN2 P17706 1/20 0.39
PTPN6 P29350 1/20 0.39
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
RXRG P48443 1/20 0.38
BRD4 O60885 1/20 0.38
MRGPRX4 Q96LA9 2/20 0.38
GPBAR1 Q8TDU6 1/20 0.38
PTGER1 P34995 4/20 0.38
CYP2C9 P11712 1/20 0.38
PPARG P37231 1/20 0.37
PPARD Q03181 1/20 0.37
LRRK2 Q5S007 2/20 0.37
FEN1 P39748 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL9905253 1.00 PPIA (0.40) PPIAMAPTPOLBPTPN1PTPN2
SCHEMBL9905250 1.00 PPIA (0.40) PPIAMAPTPOLBPTPN1PTPN2
SCHEMBL19360272 0.93 MAPT (0.41) MAPTPOLBRXRARXRBRXRG
SCHEMBL17088952 0.91 MAPT (0.45) MAPTPOLBRXRARXRBRXRG
SCHEMBL9905739 0.88 MRGPRX4 (0.42) MRGPRX4PPARGPPARD
SCHEMBL9905736 0.88 MRGPRX4 (0.42) MRGPRX4PPARGPPARD
SCHEMBL9905738 0.88 MRGPRX4 (0.42) MRGPRX4PPARGPPARD
SCHEMBL9905383 0.87 BCL2L1 (0.43) MRGPRX4PPARD
SCHEMBL9905384 0.87 BCL2L1 (0.43) MRGPRX4PPARD
SCHEMBL9905780 0.87 BCL2L1 (0.43) MRGPRX4PPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2648511-A1 PYRAZOLYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF Lycera Corporation (US) 2013-10-16 EP disclosed
WO-2012078874-A1 PYRAZOLYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF LYCERA CORPORATION (US) 2012-06-14 WO disclosed