SCHEMBL9537403

SCHEMBL9537403

CCOC(=O)Oc1ncc2[nH]c3cccc(Oc4ccc([N+](=O)[O-])cc4)c3c2c1COC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 11/20 0.49
GABRG2 P18507 11/20 0.49
GABRB3 P28472 11/20 0.49
GABRA5 P31644 11/20 0.49
GABRA3 P34903 11/20 0.49
GABRA2 P47869 9/20 0.49
GABRP O00591 7/20 0.49
GABRD O14764 7/20 0.49
GABRB1 P18505 7/20 0.49
GABRB2 P47870 7/20 0.49
GABRA4 P48169 7/20 0.49
GABRE P78334 7/20 0.49
GABRA6 Q16445 7/20 0.49
GABRG1 Q8N1C3 7/20 0.49
GABRG3 Q99928 7/20 0.49
GABRQ Q9UN88 7/20 0.49
MAPT P10636 4/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL9533037 0.93 GABRA1 (0.41) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9537706 0.91 GABRA1 (0.46) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9533959 0.90 GABRA1 (0.49) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9534368 0.89 GABRA1 (0.41) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL8802622 0.89 GABRA1 (0.41) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9538239 0.89 KMT2A (0.46) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9535739 0.89 GABRA1 (0.46) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9535751 0.89 GABRA1 (0.58) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9535646 0.88 GABRA1 (0.47) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9533380 0.88 GABRA1 (0.51) 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 5 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-0505017-A2 Selective phenylation of 5-hydroxy-beta-carbolin-derivatives SCHERING AKTIENGESELLSCHAFT (DE) 1992-09-23 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