SCHEMBL9602714

SCHEMBL9602714

Cc1nnc(SCCCN)s1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
ALDH1A1 P00352 2/20 0.47
MAPT P10636 1/20 0.47
PKM P14618 1/20 0.47
NPC1 O15118 4/20 0.45
RAB9A P51151 4/20 0.45
LMNA P02545 1/20 0.45
GRIN2B Q13224 1/20 0.42
PTGS2 P35354 1/20 0.41
ABL1 P00519 1/20 0.40
RIN1 Q13671 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
SCHEMBL425172 0.82 ALDH1A1 (0.56) GAAL3MBTL1ALDH1A1MAPTPKM
SCHEMBL8523619 0.81 ALDH1A1 (0.64) GAAL3MBTL1ALDH1A1MAPTPKM
SCHEMBL9602710 0.81 GAA (0.49) GAAL3MBTL1ALDH1A1MAPTPKM
SCHEMBL7810670 0.81 GAA (0.49) GAAL3MBTL1ALDH1A1MAPTPKM
SCHEMBL12110047 0.79 ALDH1A1 (0.67) GAAL3MBTL1ALDH1A1MAPTPKM
SCHEMBL28508900 0.79 ALDH1A1 (0.67) GAAL3MBTL1ALDH1A1MAPTPKM
SCHEMBL11228856 0.78 ALDH1A1 (0.66) GAAL3MBTL1ALDH1A1MAPTNPC1
SCHEMBL12232725 0.78 GAA (0.53) GAAL3MBTL1ALDH1A1MAPTPKM
Bromide SCHEMBL11325374 0.77 ALDH1A1 (0.64) GAAL3MBTL1ALDH1A1MAPTNPC1
SCHEMBL7812310 0.76 GAA (0.52) GAAL3MBTL1ALDH1A1MAPTPKM

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-0232623-B1 1-CARBACEPHALOSPORIN ANTIBIOTICS ELI LILLY AND COMPANY (US) 1993-03-17 EP disclosed
US-4892942-A 1-CARBA (DETHIA)CEPHALOSPORINS ELI LILLY AND COMPANY (US) 1990-01-09 US disclosed
US-4791106-A 1-Carbacephalosporin antibiotics ELI LILLY AND COMPANY (US) 1988-12-13 US disclosed
EP-0232623-A1 1-Carbacephalosporin antibiotics ELI LILLY AND COMPANY (US) 1987-08-19 EP disclosed