SCHEMBL5820796

SCHEMBL5820796

COc1ccc(C(=O)c2ccn3cncc3n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.44
RXFP1 Q9HBX9 2/20 0.41
LMNA P02545 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
RAB9A P51151 2/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
KMT2A Q03164 1/20 0.41
HPGD P15428 1/20 0.41
CHEK1 O14757 1/20 0.40
ALDH1A1 P00352 3/20 0.40
HTT P42858 1/20 0.40
ALOX15 P16050 1/20 0.40
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
QPCT Q16769 1/20 0.39
QPCTL Q9NXS2 1/20 0.39
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39

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
SCHEMBL5816136 0.85 ALDH1A1 (0.42) LMNARAB9AMAPTHPGDALDH1A1
SCHEMBL5820869 0.82 LTA4H (0.42) RXFP1LMNANPSR1RAB9AMAPT
SCHEMBL22835342 0.74 PTGS1 (0.45) LMNARAB9AMEN1KMT2AHPGD
SCHEMBL19874839 0.72 KMT2A (0.58) RXFP1LMNANPSR1RAB9AMEN1
SCHEMBL15201141 0.69 ALDH1A1 (0.55) CYP19A1RXFP1LMNANPSR1RAB9A
SCHEMBL8933337 0.68 HPGD (0.55) RAB9AMAPTKMT2AHPGDALDH1A1
SCHEMBL11202262 0.67 SMN1; SMN2 (0.59) RXFP1LMNANPSR1RAB9AMEN1
SCHEMBL11876573 0.67 MAPT (0.50) RXFP1LMNANPSR1RAB9AMEN1
SCHEMBL9418310 0.67 RXFP1 (0.79) RXFP1LMNANPSR1RAB9AMEN1
SCHEMBL51509 0.67 RXFP1 (0.79) RXFP1LMNANPSR1RAB9AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006084835-A1 N-(3-(IMIDAZO [1,5-A]PYRIMIDIN-4-YL)PHENYL]-SULFONAMIDES AND N-[3-(IMIDAZO[1,5-A]PYRIMIDIN-4-YL)-PHENYL]-CARBOXAMIDES AND THEIR USE AS GABAA RECEPTOR MODULATORS FERRER INTERNACIONAL, S. A. (ES) 2006-08-17 WO disclosed