SCHEMBL9837178

SCHEMBL9837178

COC(=O)c1cc2c(s1)CCC(CCn1ccnc1)C2

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 6/20 0.65
ALDH1A1 P00352 2/20 0.47
GAA P10253 2/20 0.47
NPC1 O15118 3/20 0.41
RAB9A P51151 2/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40

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
SCHEMBL9835495 0.90 TBXAS1 (0.80) TBXAS1ALDH1A1GAANPC1RAB9A
SCHEMBL9835624 0.90 TBXAS1 (0.80) TBXAS1ALDH1A1GAANPC1
SCHEMBL9834927 0.82 TBXAS1 (0.80) TBXAS1ALDH1A1GAANPC1RAB9A
SCHEMBL9836178 0.79 TBXAS1 (1.00) TBXAS1ALDH1A1GAANPC1
SCHEMBL9870926 0.74 RAB9A (0.43) TBXAS1ALDH1A1NPC1RAB9AKMT2A
SCHEMBL9836834 0.71 ALDH1A1 (0.44) TBXAS1ALDH1A1NPC1RAB9AKMT2A
SCHEMBL9836336 0.70 TBXAS1 (0.78) TBXAS1ALDH1A1GAANPC1
SCHEMBL9836386 0.70 TBXAS1 (0.72) TBXAS1ALDH1A1GAA
SCHEMBL9836683 0.69 TBXAS1 (0.52) TBXAS1ALDH1A1GAANPC1RAB9A
SCHEMBL9834618 0.69 TBXAS1 (0.52) TBXAS1ALDH1A1GAANPC1

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-0240107-B1 THIANAPHTHENE DERIVATIVES, THEIR PRODUCTION AND USE Sankyo Company Limited (JP) 1991-08-21 EP disclosed
US-5021444-A Anticoagulants SANKYO COMPANY LIMITED (JP) 1991-06-04 US disclosed
US-4847272-A ANTICOAGULANTS SANKYO COMPANY LIMITED (JP) 1989-07-11 US disclosed
EP-0240107-A1 Thianaphthene derivatives, their production and use Sankyo Company Limited (JP) 1987-10-07 EP disclosed