SCHEMBL4573261

SCHEMBL4573261

CCc1cccnc1Br.[B]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.48
GABRB2 P47870 2/20 0.48
CYP11B1 P15538 1/20 0.47
CYP11B2 P19099 1/20 0.47
TRIM24 O15164 1/20 0.45
TRIM33 Q9UPN9 1/20 0.45
PARP1 P09874 1/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 1/20 0.41
HTR1A P08908 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
CYP1A2 P05177 1/20 0.36
MAPT P10636 1/20 0.36
MMP2 P08253 2/20 0.35
MMP9 P14780 2/20 0.35
MMP8 P22894 2/20 0.35
MMP13 P45452 2/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL9383289 0.98
SCHEMBL31288450 0.98
SCHEMBL31231835 0.96 GABRA1 (0.48) GABRA1GABRB2CYP11B1CYP11B2TRIM24
SCHEMBL7941717 0.81 CYP11B1 (0.46) GABRA1GABRB2CYP11B1CYP11B2TRIM24
SCHEMBL27938298 0.78 CYP11B1 (0.44) GABRA1GABRB2CYP11B1CYP11B2TRIM24
SCHEMBL1230178 0.77
SCHEMBL29760935 0.77
SCHEMBL27620072 0.76 L3MBTL1 (0.44) CYP11B1CYP11B2TRIM24TRIM33PARP1
SCHEMBL1810170 0.76 CYP11B1 (0.42) GABRA1GABRB2CYP11B1CYP11B2TRIM24
SCHEMBL24631380 0.76 SLC6A2 (0.46) GABRA1GABRB2KDM4EALDH1A1MAPT

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-2008070358-A2 N-CYCLOPROPYL-HYDROXYPROLINE-BASED TRIPEPTIDIC HEPATITIS C SERINE PROTEASE INHIBITORS CONTAINING AN ISOINDOLE, PYRROLOPYRIDINE, PYRROLOPYRIMIDINE OR PYRROLOPYRAZINE HETEROCYCLE IN THE SIDE CHAIN PHENOMIX CORPORATION (US) 2008-06-12 WO disclosed