SCHEMBL9822076

SCHEMBL9822076

COCc1cc(S)nc2nc(C(F)(F)F)nn12

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 4/20 0.36
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL9822071 0.83 DHODH (0.36) DHODHALDH1A1KMT2A
SCHEMBL9821993 0.81 ALDH1A1 (0.36) DHODHALDH1A1KMT2A
SCHEMBL9821984 0.81 GAA (0.33) ALDH1A1KMT2A
SCHEMBL9821991 0.78 TDP1 (0.38) DHODHALDH1A1KMT2A
SCHEMBL9822056 0.70 PDE10A (0.36) ALDH1A1
SCHEMBL9822325 0.68
SCHEMBL9865353 0.68 RECQL (0.39) ALDH1A1KMT2A
SCHEMBL18611249 0.68 DHODH (0.50) DHODHALDH1A1KMT2A
SCHEMBL10407297 0.67 DHODH (0.52) DHODHALDH1A1KMT2A
SCHEMBL19194448 0.65 DHODH (0.50) DHODHALDH1A1KMT2A

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
US-4987129-A BACTERICIDES SANKEI PHARMACEUTICAL CO., LTD. (JP) 1991-01-22 US disclosed
US-4958019-A Intermediates for synthesis of cephalosporin compounds SANKEI PHARMACEUTICAL CO., LTD. (JP) 1990-09-18 US disclosed
US-4956462-A Bactericides, ANTIBIOTICS, CEPHALOSPORINS SANKEI PHARMACEUTICAL CO., LTD. (JP) 1990-09-11 US disclosed
EP-0302633-A2 Beta-lactam compound, process for preparing the same, intermediate for synthesis of the same and medicinal composition for bacterially infectious disease therapy containing the same SANKEI PHARMACEUTICAL COMPANY LIMITED (JP) 1989-02-08 EP disclosed