SCHEMBL31143729

SCHEMBL31143729

CCCC(NC(=O)c1ccc(N(C)Cc2cnc3nc(N)nc(N)c3n2)s1)C(=O)OC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DHFR P00374 5/20 0.53
▸ NCOA3 Q9Y6Q9 2/20 0.53
▸ KDM4E B2RXH2 1/20 0.53
▸ TLR4 O00206 1/20 0.53
▸ MEN1 O00255 1/20 0.53
▸ ALDH1A1 P00352 1/20 0.53
▸ LMNA P02545 1/20 0.53
▸ TP53 P04637 1/20 0.53
▸ TYMS P04818 1/20 0.53
▸ GLA P06280 1/20 0.53
▸ POLB P06746 1/20 0.53
▸ HMGB1 P09429 1/20 0.53
▸ MAPT P10636 1/20 0.53
▸ FOLR2 P14207 1/20 0.53
▸ FOLR1 P15328 1/20 0.53
▸ HPGD P15428 1/20 0.53
▸ ALOX15 P16050 1/20 0.53
▸ ALOX12 P18054 1/20 0.53
▸ GART P22102 1/20 0.53
▸ APEX1 P27695 1/20 0.53

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
SCHEMBL31143667 0.92 DHFR (0.62) DHFRNCOA3KDM4ETLR4MEN1
SCHEMBL24344791 0.86 DHFR (0.49) DHFRNCOA3KDM4ETLR4MEN1
SCHEMBL24344792 0.79 DHFR (0.44) DHFRNCOA3KDM4ETLR4MEN1
SCHEMBL24193159 0.78 DHFR (0.63) DHFRNCOA3KDM4ETLR4MEN1
SCHEMBL16546067 0.78 DHFR (0.76) DHFRNCOA3KDM4ETLR4MEN1
SCHEMBL29711336 0.78 DHFR (0.76) DHFRNCOA3KDM4ETLR4MEN1
SCHEMBL19918327 0.78 DHFR (0.76) DHFRNCOA3KDM4ETLR4MEN1
SCHEMBL19918280 0.78 DHFR (0.76) DHFRNCOA3KDM4ETLR4MEN1
SCHEMBL22879104 0.77 FPGS (0.86) DHFRNCOA3KDM4ETLR4MEN1
SCHEMBL13668065 0.77 FPGS (0.86) DHFRNCOA3KDM4ETLR4MEN1

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
CN-118613484-A Antifolate linker-drug and antibody-drug conjugates 拜奥迪斯私人有限公司 2024-09-06 — — CN disclosed
Send feedback