SCHEMBL4283271

SCHEMBL4283271

O=C(Nc1ncc(Cc2ccccc2)s1)c1ccc2c(c1)CCNC2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.56
GAA P10253 2/20 0.52
LMNA P02545 5/20 0.52
NPC1 O15118 5/20 0.52
RAB9A P51151 5/20 0.52
MAPT P10636 5/20 0.52
KMT2A Q03164 5/20 0.52
SMN1; SMN2 Q16637 5/20 0.52
TP53 P04637 4/20 0.52
MEN1 O00255 4/20 0.52
ALDH1A1 P00352 2/20 0.52
NFKB1 P19838 2/20 0.52
NFKB2 Q00653 2/20 0.52
RELA Q04206 2/20 0.52
ABL1 P00519 1/20 0.52
MAPK1 P28482 1/20 0.52
KDM4E B2RXH2 2/20 0.49
HPGD P15428 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.47
SCD O00767 3/20 0.47

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
SCHEMBL4276252 0.91 POLB (0.48) POLBGAALMNANPC1RAB9A
SCHEMBL4563945 0.91 POLB (0.48) POLBGAALMNAMAPTKMT2A
SCHEMBL4284053 0.90 GAA (0.57) GAALMNAMAPTKMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL4289740 0.90 POLB (0.47) POLBGAALMNANPC1RAB9A
SCHEMBL4288598 0.90 KMT2A (0.61) POLBGAALMNANPC1RAB9A
Hydrochloric Acid SCHEMBL4276562 0.90 GAA (0.56) GAALMNAMAPTKMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL4279918 0.89 KMT2A (0.60) POLBGAALMNANPC1RAB9A
SCHEMBL4277749 0.89 OGA (0.48) POLBGAALMNANPC1RAB9A
Hydrochloric Acid SCHEMBL4282122 0.88 OGA (0.47) POLBGAALMNANPC1RAB9A
SCHEMBL4287355 0.88 SCD (0.52) LMNAMAPTKMT2ASMN1; SMN2TP53

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