SCHEMBL9566905

SCHEMBL9566905

Cc1cc(=O)n(-c2ccccc2-c2ccccc2C#N)c2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.46
NQO2 P16083 1/20 0.46
ALDH1A1 P00352 4/20 0.40
HPGD P15428 3/20 0.40
GLA P06280 2/20 0.40
GAA P10253 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPK1 P28482 1/20 0.38
S1PR2 O95136 1/20 0.38
S1PR4 O95977 1/20 0.38
S1PR1 P21453 1/20 0.38
RXFP1 Q9HBX9 1/20 0.36
IMPDH2 P12268 1/20 0.36
TSHR P16473 1/20 0.36
SLC22A12 Q96S37 1/20 0.36
MAT2A P31153 1/20 0.35
BCAT1 P54687 2/20 0.35
BCAT2 O15382 1/20 0.35

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
SCHEMBL28913319 0.80 IMPDH2 (0.42) KDM4EALDH1A1MEN1KMT2AIMPDH2
SCHEMBL9571033 0.77 KDM4E (0.40) KDM4EALDH1A1HPGDGAATSHR
SCHEMBL19697253 0.75 TRPA1 (0.40) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL17949576 0.75 KDM4E (0.38) KDM4EALDH1A1GLAGAATSHR
SCHEMBL9571037 0.74 IDH1 (0.38) KDM4EALDH1A1HPGDGAA
SCHEMBL18347464 0.74 DUSP3 (0.38) KDM4EALDH1A1MEN1KMT2AIMPDH2
SCHEMBL19697300 0.74 IMPDH2 (0.37) KDM4EALDH1A1MEN1KMT2AIMPDH2
SCHEMBL18347465 0.74 KDM4E (0.38) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL18347467 0.74 KDM4E (0.38) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL9570955 0.73 KDM4E (0.42) KDM4EALDH1A1HPGDGLAGAA

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-0561252-A1 2-Oxoquinoline derivatives as angiotensin II antagonists MERCK PATENT GmbH (DE) 1993-09-22 EP disclosed