SCHEMBL10658199

SCHEMBL10658199

CC1Cc2c(n(Cc3ccccc3)c3ccccc3c2=O)O1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 4/20 0.55
CYP19A1 P11511 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
MAPK1 P28482 1/20 0.45
DHFR P00374 1/20 0.45
NTRK1 P04629 1/20 0.44
KDM4E B2RXH2 3/20 0.43
TDP1 Q9NUW8 2/20 0.43
HPGD P15428 2/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
MIF P14174 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL10658218 0.89 DHFR (0.44) P2RX4SMN1; SMN2MEN1KMT2AMAPK1
SCHEMBL10658802 0.82 PTGDR2 (0.45) MEN1KMT2AL3MBTL1
SCHEMBL10654477 0.80 P2RX4 (0.48) P2RX4CYP19A1SMN1; SMN2MEN1KMT2A
SCHEMBL10658309 0.78 KDM4E (0.41) SMN1; SMN2KMT2ADHFRKDM4EHPGD
SCHEMBL10656830 0.76 PLK1 (0.42) SMN1; SMN2MEN1KMT2AMAPK1NPSR1
SCHEMBL10660950 0.75 P2RX4 (0.59) P2RX4CYP19A1SMN1; SMN2MEN1KMT2A
SCHEMBL10654559 0.74 DRD1 (0.41) SMN1; SMN2KMT2ADHFRHPGDHTT
SCHEMBL10655566 0.73 P2RX4 (0.56) P2RX4CYP19A1SMN1; SMN2MEN1KMT2A
SCHEMBL14160818 0.73 P2RX4 (1.00) P2RX4CYP19A1SMN1; SMN2MEN1KMT2A
SCHEMBL29904927 0.73 P2RX4 (1.00) P2RX4CYP19A1SMN1; SMN2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4740511-A ANTIALLERGENS, ANTIINFLAMMATORY, ANTIULCER AGENTS SCHERING CORPORATION (US) 1988-04-26 US disclosed
US-4680298-A Tricyclic anti-allergy and use as anti-inflammatory agents SCHERING CORPORATION (US) 1987-07-14 US disclosed
US-4680297-A Tricyclic positive inotropic agents SCHERING CORPORATION (US) 1987-07-14 US disclosed
EP-0127135-A2 Fused tricyclic derivatives of naphthyridinone and pyridone and the corresponding thiones SCHERING CORPORATION (US) 1984-12-05 EP disclosed