SCHEMBL9674199

SCHEMBL9674199

c1csc(Cn2cnc3ccccc32)c1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 8/20 0.58
CYP11B2 P19099 8/20 0.58
TNF P01375 2/20 0.58
TDP1 Q9NUW8 1/20 0.56
HTT P42858 4/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
MAPK1 P28482 2/20 0.54
LMNA P02545 3/20 0.53
PKM P14618 3/20 0.51
HPGD P15428 2/20 0.51
HSD17B10 Q99714 2/20 0.51
ALDH1A1 P00352 2/20 0.51
POLB P06746 1/20 0.51
ALOX15 P16050 1/20 0.51
KDM4E B2RXH2 1/20 0.50
MAPT P10636 1/20 0.50
TSHR P16473 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50

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
SCHEMBL16044012 0.81 FLT3 (0.47) CYP11B1CYP11B2TNFTDP1SMN1; SMN2
SCHEMBL10437253 0.76 CYP11B1 (0.57) CYP11B1CYP11B2TNFTDP1HTT
SCHEMBL30826274 0.75 CYP11B1 (0.77) CYP11B1CYP11B2TNFTDP1HTT
SCHEMBL4142913 0.75 CYP11B1 (0.77) CYP11B1CYP11B2TNFTDP1HTT
SCHEMBL13907295 0.75 CYP11B1 (0.89) CYP11B1CYP11B2TNFTDP1HTT
SCHEMBL31357411 0.74 CYP11B1 (1.00) CYP11B1CYP11B2TNFTDP1HTT
Hydrochloric Acid SCHEMBL31253891 0.74 CYP11B1 (0.75) CYP11B1CYP11B2TNFTDP1HTT
SCHEMBL230002 0.74 CYP11B1 (1.00) CYP11B1CYP11B2TNFTDP1HTT
Bromide SCHEMBL31253900 0.74 CYP11B1 (0.75) CYP11B1CYP11B2TNFTDP1HTT
SCHEMBL1609239 0.74 HDAC6 (0.54) SMN1; SMN2LMNAHPGDALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2897939-A1 BENZOIMIDAZOLE-CARBOXYLIC ACID AMIDE DERIVATIVES AS APJ RECEPTOR MODULATORS SANOFI (FR) 2015-07-29 EP disclosed
WO-2014044738-A1 BENZOIMIDAZOLE-CARBOXYLIC ACID AMIDE DERIVATIVES AS APJ RECEPTOR MODULATORS SANOFI (FR) 2014-03-27 WO disclosed
EP-0276942-B1 6-BETA(SUBSTITUTED)-(S)-HYDROXYMETHYLPENICILLANIC ACIDS AND DERIVATIVES THEREOF PFIZER INC. (US) 1992-04-01 EP disclosed
US-4782050-A BACTERICIDES PFIZER INC. (US) 1988-11-01 US disclosed
EP-0276942-A1 6-Beta(substituted)-(S)-hydroxymethylpenicillanic acids and derivatives thereof PFIZER INC. (US) 1988-08-03 EP disclosed