SCHEMBL7524323

SCHEMBL7524323

C=CCC(=C1CCCCN1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
HPGD P15428 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPK1 P28482 2/20 0.40
MAPT P10636 1/20 0.40
TSHR P16473 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 3/20 0.35
GAA P10253 1/20 0.35
CASP1 P29466 1/20 0.32
HRH1 P35367 1/20 0.31
AKT1 P31749 1/20 0.30

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
SCHEMBL7524318 1.00 NPC1 (0.45) NPC1RAB9AHPGDSMN1; SMN2MEN1
SCHEMBL5764963 0.73 NPC1 (0.54) NPC1RAB9AHPGDSMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL10749720 0.72 NPC1 (0.53) NPC1RAB9AHPGDSMN1; SMN2MEN1
SCHEMBL5766517 0.70 RAB9A (0.51) NPC1RAB9AHPGDSMN1; SMN2MEN1
SCHEMBL5766519 0.70 RAB9A (0.51) NPC1RAB9AHPGDSMN1; SMN2MEN1
SCHEMBL11664761 0.68 AKT1 (0.33) HPGDALDH1A1HRH1AKT1
SCHEMBL1144315 0.68 RAB9A (0.56) NPC1RAB9AHPGDSMN1; SMN2MEN1
SCHEMBL7782268 0.67 NPC1 (0.62) NPC1RAB9AHPGDSMN1; SMN2MEN1
SCHEMBL8911535 0.66 HPGD (0.44) NPC1RAB9AHPGDSMN1; SMN2MEN1
SCHEMBL7496643 0.66 RAB9A (0.47) NPC1RAB9AHPGDSMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0940401-B1 2-CARBONYLTHIAZOLE DERIVATIVES AND USE OF THE SAME TAISHO PHARMACEUTICAL CO LTD (JP) 2002-11-06 EP disclosed
US-6166033-A 2-carbonylthiazole derivatives and use of the same TAISHO PHARMACEUTICAL CO., LTD. (JP) 2000-12-26 US disclosed
EP-0940401-A1 2-CARBONYLTHIAZOLE DERIVATIVES AND USE OF THE SAME TAISHO PHARMACEUTICAL CO. LTD (JP) 1999-09-08 EP disclosed
EP-0816362-A1 THIAZOLE DERIVATIVES TAISHO PHARMACEUTICAL CO. LTD (JP) 1998-01-07 EP disclosed