SCHEMBL9314977

SCHEMBL9314977

Nc1nc(N)c2nc(CC(C(=O)O)c3ccc(C(=O)O)s3)cnc2n1

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DHFR P00374 10/20 0.44
FOLR1 P15328 1/20 0.42
SLC19A1 P41440 1/20 0.42
SLC46A1 Q96NT5 1/20 0.42

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
SCHEMBL9313953 0.83 DHFR (0.43) DHFR
SCHEMBL15075303 0.79 DHFR (0.54) DHFRFOLR1SLC19A1SLC46A1
SCHEMBL9067320 0.78 DHFR (0.47) DHFR
SCHEMBL9547730 0.73 DHFR (0.44) DHFR
SCHEMBL9542097 0.69 DHFR (0.69) DHFRFOLR1SLC19A1SLC46A1
SCHEMBL13197085 0.68 NOS1 (0.53) DHFR
SCHEMBL9314999 0.67 DHFR (0.47) DHFR
SCHEMBL13529660 0.67 DHFR (0.70) DHFRFOLR1SLC19A1SLC46A1
SCHEMBL24344752 0.67 DHFR (0.65) DHFR
SCHEMBL11629266 0.67 DHFR (0.65) DHFR

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
US-5354751-A Antiinflammatory agents, leukemia SRI INTERNATIONAL (US) 1994-10-11 US disclosed