SCHEMBL7820085

SCHEMBL7820085

O=C1CCC(=O)N1Cc1cccs1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.61
MEN1 O00255 2/20 0.61
MAPT P10636 2/20 0.61
KMT2A Q03164 2/20 0.61
HSD17B10 Q99714 2/20 0.61
CYP1A2 P05177 2/20 0.50
CYP2D6 P10635 2/20 0.50
CYP2C9 P11712 2/20 0.50
CYP2C19 P33261 2/20 0.50
KDM4E B2RXH2 3/20 0.49
GAA P10253 2/20 0.49
TSHR P16473 3/20 0.49
HTT P42858 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
NPC1 O15118 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
CYP1B1 Q16678 1/20 0.46
CYP3A4 P08684 1/20 0.44
LMNA P02545 1/20 0.44

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
SCHEMBL10928551 0.81 MAPT (0.46) ALDH1A1MEN1MAPTKMT2AHSD17B10
SCHEMBL29060004 0.79 LTA4H (0.53) ALDH1A1MEN1MAPTKMT2AHSD17B10
SCHEMBL28452624 0.78 ALDH1A1 (0.54) ALDH1A1MEN1MAPTKMT2AHSD17B10
SCHEMBL6734762 0.76 GSK3A (0.60) ALDH1A1MEN1MAPTKMT2AHSD17B10
SCHEMBL1619449 0.76 ALDH1A1 (0.68) ALDH1A1MEN1MAPTKMT2AHSD17B10
SCHEMBL6805065 0.75 ALDH1A1 (0.48) ALDH1A1MEN1MAPTKMT2AHSD17B10
SCHEMBL8447095 0.75 L3MBTL1 (0.54) ALDH1A1MEN1MAPTKMT2AHSD17B10
SCHEMBL17525778 0.75 HRH3 (0.47) ALDH1A1MEN1MAPTKMT2AHSD17B10
SCHEMBL6944202 0.74 HTT (0.64) ALDH1A1MEN1MAPTKMT2AHSD17B10
SCHEMBL8114202 0.74 HTT (0.64) ALDH1A1MEN1MAPTKMT2AHSD17B10

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
EP-1087977-A1 THIENODIPYRIDINE DERIVATIVES, PRODUCTION AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2001-04-04 EP disclosed
WO-1999065916-A1 THIENODIPYRIDINE DERIVATIVES, PRODUCTION AND USE THEREOF TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-12-23 WO disclosed