SCHEMBL9536124

SCHEMBL9536124

O=C(O)Oc1cc2c(cn1)[nH]c1ccc(Oc3ccccc3)cc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 12/20 0.46
GABRG2 P18507 12/20 0.46
GABRB3 P28472 12/20 0.46
GABRA5 P31644 12/20 0.46
GABRA3 P34903 12/20 0.46
GABRA2 P47869 12/20 0.46
GABRA6 Q16445 11/20 0.46
GABRP O00591 10/20 0.46
GABRD O14764 10/20 0.46
GABRB1 P18505 10/20 0.46
GABRB2 P47870 10/20 0.46
GABRA4 P48169 10/20 0.46
GABRE P78334 10/20 0.46
GABRG1 Q8N1C3 10/20 0.46
GABRG3 Q99928 10/20 0.46
GABRQ Q9UN88 10/20 0.46
KMT2A Q03164 2/20 0.45
FLT3 P36888 1/20 0.41
KDM4E B2RXH2 1/20 0.41
PDE5A O76074 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
SCHEMBL9536390 0.90 GABRA1 (0.46) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9534778 0.86 GABRA1 (0.49) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9534278 0.85 GABRA1 (0.54) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9537464 0.84 GABRP (0.64) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9536120 0.82 GABRA1 (0.68) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9533362 0.78 GABRA1 (0.45) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL29152795 0.78 KMT2A (0.56) KMT2AFLT3KDM4EALDH1A1MAPT
SCHEMBL10389265 0.75 GABRA1 (0.77) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9839951 0.75 GABRA1 (0.46) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9536896 0.74 GABRA1 (0.46) GABRA1GABRG2GABRB3GABRA5GABRA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0234173-B1 PHENOXY-SUBSTITUTED BETA-CARBOLINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS SCHERING AKTIENGESELLSCHAFT (DE) 1993-06-16 EP disclosed
EP-0234173-A2 Phenoxy-substituted beta-carboline derivatives, their preparation and their use as medicaments SCHERING AKTIENGESELLSCHAFT (DE) 1987-09-02 EP disclosed