SCHEMBL4284053

SCHEMBL4284053

O=C(Nc1ncc(Cc2ccc(Cl)cc2)s1)c1ccc2c(c1)CCNC2

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.57
ABL1 P00519 1/20 0.52
KMT2A Q03164 4/20 0.51
MEN1 O00255 3/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
MAPT P10636 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
CYP1A2 P05177 2/20 0.47
LMNA P02545 1/20 0.47
SCD O00767 3/20 0.47
FFAR2 O15552 1/20 0.46
SLC2A1 P11166 1/20 0.46
SIRT2 Q8IXJ6 1/20 0.46
PTGER1 P34995 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C19 P33261 1/20 0.45
HTT P42858 1/20 0.45

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
Hydrochloric Acid SCHEMBL4276562 0.99 GAA (0.56) GAAABL1KMT2AMEN1L3MBTL1
SCHEMBL4281323 0.91 SCD (0.56) GAAKMT2AMEN1MAPTSMN1; SMN2
SCHEMBL4283271 0.90 POLB (0.56) GAAABL1KMT2AMEN1L3MBTL1
SCHEMBL4288598 0.90 KMT2A (0.61) GAAABL1KMT2AMEN1MAPT
Hydrochloric Acid SCHEMBL4289761 0.90 SCD (0.56) GAAKMT2AMEN1MAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL4279918 0.89 KMT2A (0.60) GAAABL1KMT2AMEN1MAPT
SCHEMBL4277749 0.89 OGA (0.48) GAAKMT2AMEN1MAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL4282122 0.88 OGA (0.47) GAAKMT2AMEN1MAPTSMN1; SMN2
SCHEMBL4287355 0.88 SCD (0.52) ABL1KMT2AMEN1MAPTSMN1; SMN2
SCHEMBL4284162 0.88 MAPT (0.61) GAAABL1KMT2AMEN1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009150196-A1 N-THIAZOLYL-1, 2, 3, 4-TETRAHYDRO-6-ISOQUINOLINECARBOXAMIDE DERIVATIVES AS INHIBITORS OF STEAROYL COENZYME A DESATURASE SMITHKLINE BEECHAM CORPORATION (US) 2009-12-17 WO claimed
WO-2009150196-A1 N-THIAZOLYL-1, 2, 3, 4-TETRAHYDRO-6-ISOQUINOLINECARBOXAMIDE DERIVATIVES AS INHIBITORS OF STEAROYL COENZYME A DESATURASE SMITHKLINE BEECHAM CORPORATION (US) 2009-12-17 WO disclosed
WO-2009150196-A1 N-THIAZOLYL-1, 2, 3, 4-TETRAHYDRO-6-ISOQUINOLINECARBOXAMIDE DERIVATIVES AS INHIBITORS OF STEAROYL COENZYME A DESATURASE SMITHKLINE BEECHAM CORPORATION (US) 2009-12-17 WO disclosed