SCHEMBL1429347

SCHEMBL1429347

[c]1csc(-c2ncco2)n1

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.33
LTA4H P09960 1/20 0.32

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
SCHEMBL1559450 0.69 PDPK1 (0.42) HPGDSLTA4H
SCHEMBL100765 0.68 HPGDS (0.46) HPGDSLTA4H
SCHEMBL21823772 0.68 CYP19A1 (0.33) HPGDSLTA4H
SCHEMBL2900102 0.67 CYP19A1 (0.36)
SCHEMBL1459856 0.67 HPGDS (0.31) HPGDSLTA4H
SCHEMBL15173885 0.67 HPGDS (0.33) HPGDSLTA4H
SCHEMBL19475648 0.67 HPGDS (0.37) HPGDSLTA4H
SCHEMBL2412140 0.65 PDPK1 (0.42)
SCHEMBL5200683 0.65 HPGDS (0.35) HPGDSLTA4H
SCHEMBL678572 0.65 ALDH1A1 (0.44)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2176259-B1 FUSED IMIDAZOLES FOR CANCER TREATMENT BAYER SCHERING PHARMA AG (DE) 2011-03-30 EP claimed