SCHEMBL8723910

SCHEMBL8723910

NC(=O)CC[C@H](NC(=O)Nc1ccc(N(CCCl)CCCl)c(F)c1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.42
CA2 P00918 5/20 0.41
CA1 P00915 4/20 0.41
JAK2 O60674 1/20 0.41
FOLH1 Q04609 5/20 0.39
FPR2 P25090 3/20 0.39
LMNA P02545 1/20 0.38
ATM Q13315 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
PYGL P06737 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL4460828 0.92 FOLH1 (0.48) FOLH1
SCHEMBL7902175 0.92 FOLH1 (0.48) FOLH1
SCHEMBL8815091 0.85 NAALAD2 (0.46) FOLH1FPR2
SCHEMBL8726206 0.84 KMT2A (0.51) KMT2ACA2CA1JAK2FOLH1
SCHEMBL8721870 0.83 CA2 (0.53) KMT2ACA2CA1
SCHEMBL8722915 0.81 FOLH1 (0.48) FOLH1FPR2
SCHEMBL7894806 0.80 FOLH1 (0.49) FOLH1FPR2LMNAATM
SCHEMBL7906574 0.80 FOLH1 (0.49) FOLH1FPR2LMNAATM
SCHEMBL7900456 0.79 FOLH1 (0.48) FOLH1FPR2LMNAATM
SCHEMBL8815104 0.78 CCKBR (0.51) KMT2ACA2CA1FPR2

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-0651740-B1 AMINO ACID LINKED NITROGEN MUSTARD DERIVATIVES AND THEIR USE AS PRODRUGS IN THE TREATMENT OF TUMOURS ZENECA LTD (GB) 1998-10-21 EP claimed