SCHEMBL9538245

SCHEMBL9538245

CCOC(=O)Oc1ncc2[nH]c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3c2c1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 13/20 0.44
GABRG2 P18507 13/20 0.44
GABRB3 P28472 13/20 0.44
GABRA5 P31644 13/20 0.44
GABRA3 P34903 13/20 0.44
GABRA2 P47869 12/20 0.44
GABRP O00591 5/20 0.43
GABRD O14764 5/20 0.43
GABRB1 P18505 5/20 0.43
GABRB2 P47870 5/20 0.43
GABRA4 P48169 5/20 0.43
GABRE P78334 5/20 0.43
GABRA6 Q16445 5/20 0.43
GABRG1 Q8N1C3 5/20 0.43
GABRG3 Q99928 5/20 0.43
GABRQ Q9UN88 5/20 0.43
ALDH1A1 P00352 2/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 3/20 0.39

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
SCHEMBL9537007 0.89 GABRA1 (0.54) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9537497 0.89 MEN1 (0.42) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9537904 0.88 GABRA1 (0.50) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9535750 0.87 GABRA1 (0.47) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9534656 0.87 GABRA1 (0.47) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9535854 0.85 GABRA1 (0.57) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9535731 0.84 GABRA1 (0.44) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9538239 0.83 KMT2A (0.46) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9537490 0.81 ALDH1A1 (0.46) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9533623 0.80 GABRA1 (0.53) 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 4 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 claimed
EP-0234173-A2 Phenoxy-substituted beta-carboline derivatives, their preparation and their use as medicaments SCHERING AKTIENGESELLSCHAFT (DE) 1987-09-02 EP claimed
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