SCHEMBL189125

SCHEMBL189125

CCc1cc2c[c]ccc2[nH]1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 4/20 0.37
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
VCP P55072 2/20 0.35
HRH4 Q9H3N8 1/20 0.32
MTNR1A P48039 1/20 0.31
MTNR1B P49286 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
PARP1 P09874 1/20 0.30

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
SCHEMBL8146071 0.87 LOXL2 (0.35) LOXL2MAPTKDM4EALDH1A1VCP
SCHEMBL694595 0.85 ADORA1 (0.39) LOXL2KDM4EALDH1A1VCPMTNR1A
SCHEMBL2562389 0.81 RHEB (0.36) LOXL2MTNR1AMTNR1B
SCHEMBL5178946 0.78 MTNR1A (0.36) LOXL2MTNR1AMTNR1B
SCHEMBL188218 0.78 GAA (0.35) LOXL2MTNR1AMTNR1B
SCHEMBL9074352 0.77 LOXL2 (0.33) LOXL2
SCHEMBL704753 0.77 LOXL2 (0.33) LOXL2
SCHEMBL1661482 0.75 SIRT1 (0.42) LOXL2MAPTKDM4EALDH1A1MTNR1A
SCHEMBL5778675 0.75 RHEB (0.37) LOXL2KDM4EALDH1A1MTNR1AMTNR1B
SCHEMBL6587779 0.75 F2 (0.51) LOXL2PARP1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5550233-A AUTOIMMUNE DISEASES; PREVENTION OF TRANSPLANT REJECTION MERCK & CO., INC. (US) 1996-08-27 US claimed
EP-2401281-A1 PYRIMIDOPYRIMIDOINDAZOLE DERIVATIVE MSD K.K. (JP) 2012-01-04 EP disclosed
WO-2010098367-A1 PYRIMIDOPYRIMIDOINDAZOLE DERIVATIVE BANYU PHARMACEUTICAL CO.,LTD. (JP) 2010-09-02 WO disclosed
EP-1753719-A1 SUBSTITUTED PYRROLIDINE-2-ONES Novartis AG (CH) 2007-02-21 EP disclosed
WO-2005118535-A1 SUBSTITUTED PYRROLIDINE-2-ONES NOVARTIS AG (CH) 2005-12-15 WO disclosed
US-5550233-A AUTOIMMUNE DISEASES; PREVENTION OF TRANSPLANT REJECTION MERCK & CO., INC. (US) 1996-08-27 US disclosed