SCHEMBL10708564

SCHEMBL10708564

Cc1noc(-c2cc3c(cn2)[nH]c2ccc([N+](=O)[O-])cc23)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.56
GABRG2 P18507 3/20 0.56
GABRB3 P28472 3/20 0.56
GABRA5 P31644 3/20 0.56
GABRA2 P47869 3/20 0.56
GABRP O00591 2/20 0.44
GABRD O14764 2/20 0.44
GABRB1 P18505 2/20 0.44
GABRA3 P34903 2/20 0.44
GABRB2 P47870 2/20 0.44
GABRA4 P48169 2/20 0.44
GABRE P78334 2/20 0.44
GABRA6 Q16445 2/20 0.44
GABRG1 Q8N1C3 2/20 0.44
GABRG3 Q99928 2/20 0.44
GABRQ Q9UN88 2/20 0.44
CSF1R P07333 1/20 0.43
MAPT P10636 5/20 0.42
ALDH1A1 P00352 3/20 0.42
POLB P06746 2/20 0.42

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
SCHEMBL10709189 0.80 ACHE (0.44) PARP1KIF11
SCHEMBL10707530 0.80 CHUK (0.45) GABRA1GABRG2GABRB3GABRA5GABRA2
SCHEMBL7488921 0.80 GABRP (0.48) GABRA1GABRG2GABRB3GABRA5GABRA2
SCHEMBL9536735 0.76 GABRA1 (0.42) GABRA1GABRG2GABRB3GABRA5GABRA2
SCHEMBL27981292 0.72 GABRA1 (0.72) GABRA1GABRG2GABRB3GABRA5GABRA2
SCHEMBL29540314 0.71 GABRA1 (0.70) GABRA1GABRG2GABRB3GABRA5GABRA2
SCHEMBL155013 0.71 GABRA1 (0.70) GABRA1GABRG2GABRB3GABRA5GABRA2
SCHEMBL10644555 0.71 GABRA1 (0.67) GABRA1GABRG2GABRB3GABRA5GABRA2
SCHEMBL29561295 0.70 GABRA1 (0.68) GABRA1GABRG2GABRB3GABRA5GABRA2
SCHEMBL12722533 0.69 MAPT (0.59) GABRA1GABRG2GABRB3GABRA5GABRA2

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-0054507-B1 3-SUBSTITUTED BETA-CARBOLINES, PROCESS FOR THEIR PRODUCTION AND COMPOSITIONS CONTAINING THEM SCHERING AKTIENGESELLSCHAFT (DE) 1988-02-17 EP disclosed
US-4596808-A Nervous system disorders SCHERING AKTIENGESELLSCHAFT (DE) 1986-06-24 US disclosed
US-4435403-A TRANQUILIZERS SCHERING AKTIENGESELLSCHAFT (DE) 1984-03-06 US disclosed
EP-0054507-A2 3-Substituted beta-carbolines, process for their production and compositions containing them SCHERING AKTIENGESELLSCHAFT (DE) 1982-06-23 EP disclosed