SCHEMBL9688937

SCHEMBL9688937

COc1ccc(Cn2c3ccccc3c3c(N)c(OC(=O)O)c(C)nc32)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 4/20 0.50
GABRD O14764 4/20 0.50
GABRA1 P14867 4/20 0.50
GABRB1 P18505 4/20 0.50
GABRG2 P18507 4/20 0.50
GABRB3 P28472 4/20 0.50
GABRA5 P31644 4/20 0.50
GABRA3 P34903 4/20 0.50
GABRA2 P47869 4/20 0.50
GABRB2 P47870 4/20 0.50
GABRA4 P48169 4/20 0.50
GABRE P78334 4/20 0.50
GABRA6 Q16445 4/20 0.50
GABRG1 Q8N1C3 4/20 0.50
GABRG3 Q99928 4/20 0.50
GABRQ Q9UN88 4/20 0.50
P2RX4 Q99571 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
BLM P54132 1/20 0.46
HDAC1 Q13547 2/20 0.44

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
SCHEMBL9690953 0.91 GABRP (0.52) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9689821 0.90 GABRP (0.50) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9689811 0.87 GABRP (0.46) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9690457 0.86 GABRP (0.59) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9688905 0.82 GABRP (0.52) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9690837 0.78 GABRP (0.64) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9690539 0.76 GABRP (0.61) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9381579 0.72 P2RX4 (0.49) P2RX4SMN1; SMN2BLMHDAC1ALDH1A1
SCHEMBL9689810 0.72 FABP4 (0.43) SMN1; SMN2ALDH1A1MAPTGAATP53
SCHEMBL9382216 0.71 PTGS1 (0.48) P2RX4SMN1; SMN2BLMHDAC1ALDH1A1

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