SCHEMBL8520772

SCHEMBL8520772

Cc1ccc2c(c1)SC[C@@H](N)C(=O)N2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.55
MAPT P10636 5/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
KDM4E B2RXH2 4/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HTT P42858 2/20 0.40
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2C19 P33261 2/20 0.38
POLB P06746 1/20 0.38
ALOX15 P16050 2/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MAOB P27338 4/20 0.36
AADAT Q8N5Z0 2/20 0.36

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
SCHEMBL7792060 0.81 NOX1 (0.41) EPHX2MAPTKMT2ASMN1; SMN2KDM4E
SCHEMBL3149958 0.81 AHR (0.39) EPHX2MAPTMEN1KMT2ACYP1A2
SCHEMBL7792057 0.81 NOX1 (0.41) EPHX2MAPTKMT2ASMN1; SMN2KDM4E
Hydrochloric Acid SCHEMBL2002023 0.80 AHR (0.38) MAPTMEN1KMT2ACYP1A2CYP2C19
SCHEMBL4800295 0.79 ALDH1A1 (0.49) MAPTMEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL4495147 0.79 ALDH1A1 (0.49) MAPTMEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL8905187 0.79 ALDH1A1 (0.49) MAPTMEN1KMT2ASMN1; SMN2KDM4E
Bromide SCHEMBL11008950 0.78 ALDH1A1 (0.47) MAPTMEN1KMT2ASMN1; SMN2KDM4E
Hydrochloric Acid SCHEMBL15565137 0.78 ALDH1A1 (0.47) MAPTMEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL4064714 0.78 AADAT (0.48) EPHX2ALDH1A1CYP1A2CYP3A4CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0948524-A1 PEPTIDES AGONISTS OF BRADYKININE B 2? RECEPTOR FOURNIER INDUSTRIE ET SANTE (FR) 1999-10-13 EP disclosed
WO-1998024809-A1 PEPTIDES AGONISTS OF BRADYKININE B2 RECEPTOR FOURNIER INDUSTRIE ET SANTE (FR) 1998-06-11 WO disclosed