SCHEMBL8830007

SCHEMBL8830007

COc1cccc2c1c(=O)c(C(=O)O)nn2-c1ccc(C#N)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.44
USP14 P54578 2/20 0.43
KDM4E B2RXH2 2/20 0.41
RARG P13631 1/20 0.39
TP53 P04637 2/20 0.39
SCN9A Q15858 1/20 0.39
DYRK1A Q13627 1/20 0.39
FLT3 P36888 1/20 0.38
MAPT P10636 4/20 0.38
ALDH1A1 P00352 2/20 0.38
GAA P10253 2/20 0.38
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
RECQL P46063 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ABCB1 P08183 1/20 0.38
PRKDC P78527 1/20 0.38
RAF1 P04049 1/20 0.36

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 0.87 RORC (0.49) RORCKDM4ETP53MAPTALDH1A1
SCHEMBL8637313 0.86 RORC (0.52) RORCKDM4ERARGTP53MAPT
SCHEMBL9569710 0.85 RORC (0.46) RORCKDM4ERARGTP53MAPT
SCHEMBL30626331 0.84 KDM4E (0.42) RORCKDM4ERARGTP53SCN9A
SCHEMBL26074934 0.84 KDM4E (0.42) RORCKDM4ERARGTP53SCN9A
SCHEMBL8636360 0.83 RORC (0.46) RORCKDM4ETP53SCN9AMAPT
SCHEMBL9569701 0.81 RORC (0.45) RORCTP53MAPTALDH1A1L3MBTL1
SCHEMBL8639493 0.80 CCR2 (0.45) RORCKDM4ERARGTP53MAPT
SCHEMBL30310912 0.80 KMT2A (0.40) RORCKDM4ETP53MAPTMEN1
SCHEMBL26074922 0.80 KMT2A (0.40) RORCKDM4ETP53MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5696055-A USED IN INDUCING MALE STERILITY OR PRODUCING HYBRID SEEDS IN A GRAMINEOUS PLANT HYBRINOVA S.A. (FR) 1997-12-09 US disclosed
EP-0363236-B1 Pollen suppressant comprising a 5-oxy- or amino-substituted cinnoline HYBRINOVA (FR) 1994-12-07 EP disclosed
US-5332716-A Pollen suppressant comprising a 5-oxy- or amino-substituted cinnoline E.I. DU PONT DE NEMOURS AND COMPANY 1994-07-26 US disclosed
US-5129939-A Antifertility agents ORSAN (FR) 1992-07-14 US disclosed
EP-0363236-A1 Pollen suppressant comprising a 5-oxy- or amino-substituted cinnoline HYBRINOVA (FR) 1990-04-11 EP disclosed