SCHEMBL8722915

SCHEMBL8722915

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

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 15/20 0.48
FPR2 P25090 1/20 0.42
NAALAD2 Q9Y3Q0 3/20 0.42
RIMKLA Q8IXN7 1/20 0.42
CCKBR P32239 1/20 0.41
GAA P10253 1/20 0.40

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
SCHEMBL7902175 0.89 FOLH1 (0.48) FOLH1NAALAD2RIMKLACCKBRGAA
SCHEMBL4460828 0.89 FOLH1 (0.48) FOLH1NAALAD2RIMKLACCKBRGAA
SCHEMBL8815091 0.83 NAALAD2 (0.46) FOLH1FPR2NAALAD2GAA
SCHEMBL8723910 0.81 KMT2A (0.42) FOLH1FPR2
SCHEMBL7906574 0.77 FOLH1 (0.49) FOLH1FPR2NAALAD2RIMKLACCKBR
SCHEMBL7894806 0.77 FOLH1 (0.49) FOLH1FPR2NAALAD2RIMKLACCKBR
SCHEMBL7900456 0.77 FOLH1 (0.48) FOLH1FPR2NAALAD2RIMKLACCKBR
SCHEMBL14497683 0.73 FOLH1 (0.47) FOLH1FPR2NAALAD2CCKBRGAA
SCHEMBL6508607 0.72 KDM4E (0.47) FOLH1
SCHEMBL2638767 0.72 TYMS (0.53) FOLH1CCKBR

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 7 patents. 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 disclosed
US-5714148-A PRODRUGS WHICH ARE SUBSTRATES FOR CARBOXYPEPTIDASE G2 AND YIELD ACTIVE CYTOTOXIC DRUGS ZENECA LIMITED (GB) 1998-02-03 US disclosed
US-5660829-A DEESTERIFYING COMPOUND TO FORM N-(4(N,N-BIS(2-CHLOROETHYL) AMINO)PHENOXYCARBONYL)-L-GLUTAMIC ACID-GAMMA-(3,5-DICARBOXY)ANILIDE ZENECA LIMITED (GB) 1997-08-26 US disclosed
US-5587161-A TWO COMPONENT SYSTEM INCLUDING ANTIBODY OR ANTIGEN BINDING FRAGMENT CONJUGATED TO CARBOXYPEPTIDASE G ENZYME, COMPOUND CONVERTIBLE TO CYTOTOXIC DRUG UNDER INFLUENCE OF ENZYME ZENECA LIMITED (GB) 1996-12-24 US disclosed
EP-0651740-A1 AMINO ACID LINKED NITROGEN MUSTARD DERIVATIVES AND THEIR USE AS PRODRUGS IN THE TREATMENT OF TUMOURS ZENECA LIMITED (GB) 1995-05-10 EP disclosed
US-5405990-A For use in antibody directed enzyme prodrug therapy; cytotoxic parent nitrogen mustard; antitumor agents ZENECA LIMITED (GB) 1995-04-11 US disclosed
WO-1994002450-A1 AMINO ACID LINKED NITROGEN MUSTARD DERIVATIVES AND THEIR USE AS PRODRUGS IN THE TREATMENT OF TUMOURS ZENECA LIMITED (GB) 1994-02-03 WO disclosed