SCHEMBL9534871

SCHEMBL9534871

Cc1c(C(=O)O)ncc2[nH]c3cccc(Oc4ccc([N+](=O)[O-])cc4)c3c12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
GABRP O00591 3/20 0.48
GABRD O14764 3/20 0.48
GABRA1 P14867 3/20 0.48
GABRB1 P18505 3/20 0.48
GABRG2 P18507 3/20 0.48
GABRB3 P28472 3/20 0.48
GABRA5 P31644 3/20 0.48
GABRA3 P34903 3/20 0.48
GABRA2 P47869 3/20 0.48
GABRB2 P47870 3/20 0.48
GABRA4 P48169 3/20 0.48
GABRE P78334 3/20 0.48
GABRA6 Q16445 3/20 0.48
GABRG1 Q8N1C3 3/20 0.48
GABRG3 Q99928 3/20 0.48
GABRQ Q9UN88 3/20 0.48
MAPT P10636 1/20 0.48
TDP1 Q9NUW8 1/20 0.48

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
SCHEMBL10389610 0.89 GABRA1 (0.65) MEN1KMT2AGABRPGABRDGABRA1
SCHEMBL10390482 0.88 GABRP (0.56) MEN1KMT2AGABRPGABRDGABRA1
SCHEMBL9534876 0.87 KMT2A (0.41) MEN1KMT2AGABRPGABRDGABRA1
SCHEMBL9537699 0.86 GABRA1 (0.53) MEN1KMT2AGABRPGABRDGABRA1
SCHEMBL10390493 0.81 GABRA1 (0.54) MEN1KMT2AGABRPGABRDGABRA1
SCHEMBL9538239 0.81 KMT2A (0.46) MEN1KMT2AGABRPGABRDGABRA1
SCHEMBL9537490 0.81 ALDH1A1 (0.46) MEN1KMT2AGABRPGABRDGABRA1
SCHEMBL9538421 0.81 KMT2A (0.44) MEN1KMT2AGABRPGABRDGABRA1
SCHEMBL9427814 0.79 GABRA1 (0.66) MEN1KMT2AGABRPGABRDGABRA1
SCHEMBL9535159 0.79 GABRA1 (0.48) MEN1KMT2AGABRPGABRDGABRA1

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 3 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
US-4945090-A ANXIOLYTIC AGENTS, ANTICONVULSANTS SCHERING AKTIENGESELLSCHAFT (DE) 1990-07-31 US disclosed
EP-0234173-A2 Phenoxy-substituted beta-carboline derivatives, their preparation and their use as medicaments SCHERING AKTIENGESELLSCHAFT (DE) 1987-09-02 EP disclosed