SCHEMBL4287355

SCHEMBL4287355

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

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SCD O00767 14/20 0.52
ABL1 P00519 1/20 0.48
LMNA P02545 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
MAPT P10636 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KDM4E B2RXH2 2/20 0.47
TP53 P04637 1/20 0.47
HTT P42858 1/20 0.47
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46

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 SCHEMBL4275892 0.99 SCD (0.51) SCDABL1LMNAMEN1KMT2A
SCHEMBL4275101 0.91 SCD (0.64) SCDABL1
Hydrochloric Acid SCHEMBL4276243 0.90 SCD (0.63) SCDABL1
SCHEMBL4284053 0.88 GAA (0.57) SCDABL1LMNAMEN1KMT2A
SCHEMBL4283271 0.88 POLB (0.56) SCDABL1LMNAMEN1KMT2A
Hydrochloric Acid SCHEMBL4276562 0.87 GAA (0.56) SCDABL1LMNAMEN1KMT2A
SCHEMBL4277749 0.86 OGA (0.48) SCDLMNAMEN1KMT2AMAPT
Hydrochloric Acid SCHEMBL4282122 0.86 OGA (0.47) SCDLMNAMEN1KMT2AMAPT
SCHEMBL4281323 0.85 SCD (0.56) SCDLMNAMEN1KMT2AMAPT
SCHEMBL3725784 0.85 L3MBTL1 (0.48) SCDMEN1KMT2AMAPTSMN1; SMN2

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
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