SCHEMBL11255211

SCHEMBL11255211

Nc1cccc2cnc(C(=O)O)cc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.45
GABRP O00591 1/20 0.45
GABRD O14764 1/20 0.45
GABRA1 P14867 1/20 0.45
GABRB1 P18505 1/20 0.45
GABRG2 P18507 1/20 0.45
GABRB3 P28472 1/20 0.45
GABRA5 P31644 1/20 0.45
GABRA3 P34903 1/20 0.45
GABRA2 P47869 1/20 0.45
GABRB2 P47870 1/20 0.45
GABRA4 P48169 1/20 0.45
GABRE P78334 1/20 0.45
GABRA6 Q16445 1/20 0.45
GABRG1 Q8N1C3 1/20 0.45
GABRG3 Q99928 1/20 0.45
GABRQ Q9UN88 1/20 0.45
LMNA P02545 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP1A2 P05177 1/20 0.43

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
SCHEMBL2443191 0.81 ALDH1A1 (0.50) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL18365929 0.80 KMT2A (0.45) KMT2AGABRPGABRDGABRA1GABRB1
SCHEMBL15844832 0.76 GABRP (0.42) KMT2AGABRPGABRDGABRA1GABRB1
SCHEMBL11263067 0.76 LMNA (0.40) KMT2AGABRPGABRDGABRA1GABRB1
SCHEMBL8541158 0.75 ALDH1A1 (0.47) KMT2AGABRPGABRDGABRA1GABRB1
SCHEMBL8541938 0.75 ALDH1A1 (0.50) KMT2AGABRPGABRDGABRA1GABRB1
SCHEMBL29746814 0.74 EGLN1 (0.54) KMT2AGABRPGABRDGABRA1GABRB1
SCHEMBL29489052 0.74 EGLN1 (0.54) KMT2AGABRPGABRDGABRA1GABRB1
SCHEMBL155043 0.74 EGLN1 (0.54) KMT2AGABRPGABRDGABRA1GABRB1
SCHEMBL4021192 0.74 PDPK1 (0.57) KMT2ALMNACYP3A4CYP1A2CYP2D6

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
US-4363909-A ANTIVIRAL AGENTS RHONE POULENC INDUSTRIES (FR) 1982-12-14 US disclosed