SCHEMBL4276192

SCHEMBL4276192

Cc1nc(NC(=O)c2ccc3c(c2)CCNC3)sc1Cc1ccc(Cl)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.58
SMN1; SMN2 Q16637 4/20 0.58
KDM4E B2RXH2 3/20 0.58
ALDH1A1 P00352 3/20 0.58
LMNA P02545 2/20 0.58
MAPT P10636 1/20 0.58
HTT P42858 1/20 0.58
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
PTGER1 P34995 3/20 0.46
SLC2A1 P11166 2/20 0.45
NPSR1 Q6W5P4 2/20 0.44
RAB9A P51151 2/20 0.44
RXFP1 Q9HBX9 2/20 0.44
NPC1 O15118 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
WNT1 P04628 2/20 0.42
GSK3B P49841 2/20 0.42
DYRK1A Q13627 2/20 0.42
F2 P00734 1/20 0.42

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 SCHEMBL4287252 0.99 HPGD (0.57) HPGDSMN1; SMN2KDM4EALDH1A1LMNA
SCHEMBL4288907 0.91 HPGD (0.52) HPGDSMN1; SMN2KDM4EALDH1A1LMNA
SCHEMBL4282184 0.91 HPGD (0.52) HPGDSMN1; SMN2KDM4EALDH1A1LMNA
Hydrochloric Acid SCHEMBL4278242 0.90 HPGD (0.51) HPGDSMN1; SMN2KDM4EALDH1A1LMNA
SCHEMBL4275912 0.90 SMN1; SMN2 (0.51) HPGDSMN1; SMN2KDM4EALDH1A1LMNA
Hydrochloric Acid SCHEMBL4287316 0.90 HPGD (0.52) HPGDSMN1; SMN2KDM4EALDH1A1LMNA
Hydrochloric Acid SCHEMBL4275235 0.90 SMN1; SMN2 (0.51) HPGDSMN1; SMN2KDM4EALDH1A1LMNA
SCHEMBL4274873 0.89 SMN1; SMN2 (0.48) HPGDSMN1; SMN2KDM4EALDH1A1LMNA
SCHEMBL4285351 0.89 MAPT (0.46) HPGDSMN1; SMN2KDM4EALDH1A1LMNA
Hydrochloric Acid SCHEMBL4279972 0.89 SMN1; SMN2 (0.47) HPGDSMN1; SMN2KDM4EALDH1A1LMNA

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