SCHEMBL9837804

SCHEMBL9837804

CC(=O)Cc1cccc(/C=C/c2ccc3ccccc3n2)c1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 12/20 0.60
CYSLTR1 Q9Y271 12/20 0.60
KDM4E B2RXH2 5/20 0.55
LMNA P02545 4/20 0.55
RAB9A P51151 3/20 0.55
NPC1 O15118 2/20 0.55
PKM P14618 1/20 0.55
MAPT P10636 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2C19 P33261 1/20 0.53
HTT P42858 1/20 0.53
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
GLA P06280 1/20 0.50
ALDH1A1 P00352 1/20 0.50
MAPK1 P28482 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47

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
SCHEMBL9837811 1.00 CYSLTR2 (0.60) CYSLTR2CYSLTR1KDM4ELMNARAB9A
SCHEMBL7496760 0.83 CYSLTR2 (0.68) CYSLTR2CYSLTR1KDM4ELMNARAB9A
SCHEMBL7496756 0.83 CYSLTR2 (0.68) CYSLTR2CYSLTR1KDM4ELMNARAB9A
SCHEMBL27340570 0.82 CYSLTR2 (0.62) CYSLTR2CYSLTR1KDM4ELMNARAB9A
SCHEMBL9837337 0.81 CYSLTR2 (0.65) CYSLTR2CYSLTR1KDM4ELMNARAB9A
SCHEMBL9837331 0.81 CYSLTR2 (0.65) CYSLTR2CYSLTR1KDM4ELMNARAB9A
SCHEMBL10764144 0.81 CYSLTR2 (0.64) CYSLTR2CYSLTR1KDM4ELMNARAB9A
SCHEMBL10764142 0.81 CYSLTR2 (0.64) CYSLTR2CYSLTR1KDM4ELMNARAB9A
SCHEMBL7502713 0.80 CYSLTR2 (0.63) CYSLTR2CYSLTR1KDM4ELMNARAB9A
SCHEMBL7502719 0.80 CYSLTR2 (0.63) CYSLTR2CYSLTR1KDM4ELMNARAB9A

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-0219308-B1 2-SUBSTITUTED QUINOLINES MERCK FROSST CANADA INC. (CA) 1991-10-23 EP disclosed