SCHEMBL9688097

SCHEMBL9688097

CCc1noc(-c2cc3c(cn2)[nH]c2cccc(Oc4ccc([N+](=O)[O-])cn4)c23)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.38
MEN1 O00255 5/20 0.38
KMT2A Q03164 5/20 0.38
ALDH1A1 P00352 5/20 0.38
KDM4E B2RXH2 3/20 0.38
POLB P06746 2/20 0.38
HSPB1 P04792 2/20 0.38
HPGD P15428 1/20 0.38
LMNA P02545 4/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
HTT P42858 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
GABRA5 P31644 3/20 0.34
GABRA1 P14867 2/20 0.34
GABRG2 P18507 2/20 0.34
GABRB3 P28472 2/20 0.34
GABRA2 P47869 2/20 0.34
GABRP O00591 1/20 0.34
GABRD O14764 1/20 0.34
GABRB1 P18505 1/20 0.34

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
SCHEMBL9534379 0.90 MAPT (0.39) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL9688595 0.86 OPRL1 (0.37) MAPTALDH1A1L3MBTL1GABRA5GABRA1
SCHEMBL9687853 0.81 MEN1 (0.36) MAPTMEN1KMT2AGABRA5GABRA1
SCHEMBL9687528 0.81 OPRL1 (0.32) GABRA5GABRA1GABRG2GABRB3GABRA2
SCHEMBL10375472 0.78 GABRA1 (0.43) MAPTMEN1KMT2AGABRA5GABRA1
SCHEMBL9536735 0.77 GABRA1 (0.42) ALDH1A1HTTGABRA5GABRA1GABRG2
SCHEMBL10376617 0.76 PLAT (0.35) SMN1; SMN2L3MBTL1GABRA5GABRA1GABRG2
SCHEMBL9688243 0.76 GABRA1 (0.53) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL9689073 0.76 MAPT (0.43) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL9688766 0.75 GABRA1 (0.46) MAPTMEN1KMT2AALDH1A1KDM4E

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-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
US-4960777-A Anxiolytic agents SCHERING AKTIENGESELLSCHAFT (DE) 1990-10-02 US disclosed
US-4877792-A ANXIOLYTIC AGENTS; ANTICONVULSANTS SCHERING AKTIENGESELLSCHAFT (DE) 1989-10-31 US disclosed