SCHEMBL9569710

SCHEMBL9569710

COc1cccc2c1c(=O)c(C(=O)O)nn2-c1ccc(Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RORC P51449 4/20 0.46
CYP1A2 P05177 2/20 0.45
HIF1A Q16665 1/20 0.45
ABCB1 P08183 3/20 0.44
KMT2A Q03164 1/20 0.43
MAPT P10636 3/20 0.42
RARG P13631 2/20 0.42
CTDSP1 Q9GZU7 1/20 0.41
TP53 P04637 4/20 0.41
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
POLB P06746 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL8641097 0.90 RORC (0.49) RORCCYP1A2KMT2AMAPTTP53
SCHEMBL8637313 0.89 RORC (0.52) RORCKMT2AMAPTRARGTP53
SCHEMBL9338863 0.88 CYP1A2 (0.43) RORCCYP1A2HIF1AABCB1KMT2A
SCHEMBL9401238 0.88 MAPT (0.43) RORCCYP1A2HIF1AABCB1KMT2A
SCHEMBL8639493 0.88 CCR2 (0.45) RORCKMT2AMAPTRARGTP53
SCHEMBL124027 0.87 MALT1 (0.41) RORCCYP1A2HIF1AABCB1KMT2A
SCHEMBL8634593 0.87 CYP1A2 (0.44) RORCCYP1A2HIF1AABCB1KMT2A
SCHEMBL8830130 0.86 CYP1A2 (0.41) RORCCYP1A2HIF1AABCB1KMT2A
SCHEMBL8636360 0.85 RORC (0.46) RORCCYP1A2KMT2AMAPTTP53
SCHEMBL8830007 0.85 RORC (0.44) RORCABCB1KMT2AMAPTRARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0530063-A1 Pollen suppressant for dicotyledon plants comprising a 5-oxy-substituted cinnoline ORSAN (FR) 1993-03-03 EP disclosed
EP-0530064-A1 Pollen suppressant for Liliopsida plants comprising a 5-oxy-substituted cinnoline HYBRINOVA (FR) 1993-03-03 EP disclosed
US-5129940-A Antifertility agents for Liliopsida ORSAN (FR) 1992-07-14 US disclosed