SCHEMBL9988823

SCHEMBL9988823

COc1ccc(-n2nc(CCC(=O)NCc3ccc(N4CCN(C)CC4)cc3F)cc2-c2cccc(F)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.43
RXRB P28702 1/20 0.43
RXRG P48443 1/20 0.43
MAPT P10636 1/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
ALOX5 P09917 1/20 0.41
PTGS2 P35354 1/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 1/20 0.41
HTT P42858 1/20 0.41
ILK Q13418 1/20 0.41
HTR7 P34969 5/20 0.41
P2RX7 Q99572 1/20 0.40
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CCKAR P32238 1/20 0.39
HTR1A P08908 1/20 0.39
MALT1 Q9UDY8 1/20 0.39
RORC P51449 2/20 0.39

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
SCHEMBL9989583 0.88 CCKAR (0.42) RXRARXRBRXRGMAPTLMNA
SCHEMBL9990088 0.85 RXRA (0.45) RXRARXRBRXRGMAPTLMNA
SCHEMBL9988521 0.85 TP53 (0.42) RXRARXRBRXRGMAPTLMNA
SCHEMBL9988533 0.85 LMNA (0.49) RXRARXRBRXRGMAPTLMNA
SCHEMBL9988516 0.84 RXRA (0.48) RXRARXRBRXRGLMNATP53
SCHEMBL9988871 0.83 RXRA (0.53) RXRARXRBRXRGLMNATP53
SCHEMBL9990073 0.83 RXRA (0.48) RXRARXRBRXRGLMNATP53
SCHEMBL9990141 0.83 RXRA (0.51) RXRARXRBRXRGMAPTLMNA
SCHEMBL9989306 0.82 RXRA (0.52) RXRARXRBRXRGALOX5PTGS2
SCHEMBL9990250 0.82 RXRA (0.51) RXRARXRBRXRGMAPTLMNA

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
WO-2011161615-A1 5-LIPOXYGENASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2011-12-29 WO disclosed