SCHEMBL9690653

SCHEMBL9690653

Cc1nc2c(cc1C(=O)O)c1ccccc1n2C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.50
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
GABRP O00591 4/20 0.47
GABRD O14764 4/20 0.47
GABRA1 P14867 4/20 0.47
GABRB1 P18505 4/20 0.47
GABRG2 P18507 4/20 0.47
GABRB3 P28472 4/20 0.47
GABRA5 P31644 4/20 0.47
GABRA3 P34903 4/20 0.47
GABRA2 P47869 4/20 0.47
GABRB2 P47870 4/20 0.47
GABRA4 P48169 4/20 0.47
GABRE P78334 4/20 0.47
GABRA6 Q16445 4/20 0.47
GABRG1 Q8N1C3 4/20 0.47
GABRG3 Q99928 4/20 0.47
GABRQ Q9UN88 4/20 0.47
ALDH1A1 P00352 5/20 0.46

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
SCHEMBL10747046 0.86 MEN1 (0.46) KDM4EMEN1KMT2AGABRPGABRD
SCHEMBL400611 0.75 RCE1 (0.55) KDM4EGABRPGABRDGABRA1GABRB1
SCHEMBL28826053 0.75 KDM4E (0.49) KDM4EGABRPGABRDGABRA1GABRB1
SCHEMBL9690375 0.74 GABRP (0.51) KDM4EGABRPGABRDGABRA1GABRB1
SCHEMBL9689767 0.73 GABRP (0.59) KDM4EMEN1KMT2AGABRPGABRD
SCHEMBL2218077 0.72 KDM4E (0.49) KDM4EMEN1KMT2AALDH1A1HPGD
SCHEMBL9688866 0.72 GABRP (0.76) MEN1KMT2AGABRPGABRDGABRA1
SCHEMBL9688746 0.72 GABRP (0.58) KDM4EMEN1KMT2AGABRPGABRD
Bicarbonate SCHEMBL9678990 0.71 GPR3 (0.76) KDM4EMEN1KMT2AALDH1A1HPGD
SCHEMBL9690925 0.70 GABRP (0.78) KDM4EMEN1KMT2AGABRPGABRD

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-0249301-B1 Pyrido[2,3-b]indoles BEECHAM GROUP PLC (GB) 1992-05-27 EP claimed