SCHEMBL9689073

SCHEMBL9689073

CCOC(=O)Oc1cc2c(cn1)[nH]c1cccc(Oc3ccc([N+](=O)[O-])cn3)c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.43
MEN1 O00255 6/20 0.43
KMT2A Q03164 6/20 0.43
KDM4E B2RXH2 5/20 0.43
ALDH1A1 P00352 5/20 0.43
POLB P06746 2/20 0.43
HPGD P15428 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HSPB1 P04792 2/20 0.41
LMNA P02545 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HTT P42858 1/20 0.40
GABRP O00591 4/20 0.38
GABRD O14764 4/20 0.38
GABRA1 P14867 4/20 0.38
GABRB1 P18505 4/20 0.38
GABRG2 P18507 4/20 0.38
GABRB3 P28472 4/20 0.38
GABRA5 P31644 4/20 0.38
GABRA3 P34903 4/20 0.38

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
SCHEMBL9535825 0.91 KMT2A (0.39) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL9688243 0.88 GABRA1 (0.53) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL9534414 0.82 GABRA1 (0.44) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL9688102 0.82 GABRA1 (0.42) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL9689076 0.82 GABRA1 (0.40) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL9688766 0.82 GABRA1 (0.46) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL11085907 0.80 GABRA1 (0.55) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL10767510 0.79 GABRA1 (0.47) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL9535165 0.78 GABRA1 (0.40) MAPTMEN1KMT2AKDM4EPOLB
SCHEMBL9535731 0.77 GABRA1 (0.44) MAPTMEN1KMT2AKDM4EALDH1A1

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-0237467-B1 HETEROARYL-OXY-BETA-CARBOLINE DERIVATIVES, THEIR PREPARATION AND USE AS MEDICAMENTS SCHERING AKTIENGESELLSCHAFT (DE) 1992-10-28 EP claimed
EP-0237467-B1 HETEROARYL-OXY-BETA-CARBOLINE DERIVATIVES, THEIR PREPARATION AND USE AS MEDICAMENTS SCHERING AKTIENGESELLSCHAFT (DE) 1992-10-28 EP disclosed