SCHEMBL8501270

SCHEMBL8501270

CC(CC(=O)OC(C)(C)C)c1cccc(CCNC(=O)c2cccc(NC(=N)N)c2)c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.46
PAX8 Q06710 1/20 0.40
F2 P00734 4/20 0.39
F10 P00742 1/20 0.39
KDM1A O60341 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
TMPRSS6 Q8IU80 1/20 0.38
CASR P41180 1/20 0.38
PRMT5 O14744 1/20 0.38
WDR77 Q9BQA1 1/20 0.38
TP53 P04637 1/20 0.38
TSHR P16473 1/20 0.38
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
TP53BP1 Q12888 1/20 0.38
CA2 P00918 1/20 0.38

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
SCHEMBL7856471 0.91 TP53 (0.45) LMNAF2TMPRSS6CASRPRMT5
SCHEMBL7379927 0.82 KMT2A (0.45) LMNAF2NPC1RAB9AMEN1
SCHEMBL7453096 0.82 LMNA (0.48) LMNAPAX8KDM1ANPC1RAB9A
SCHEMBL7856464 0.78 TP53 (0.49) LMNATP53TSHRMEN1GAA
SCHEMBL7453103 0.76 LMNA (0.51) LMNAPAX8KDM1ANPC1RAB9A
SCHEMBL7380397 0.76 CASR (0.47) PAX8F2NPC1RAB9ACASR
SCHEMBL7856536 0.74 LMNA (0.54) LMNAF10NPC1RAB9A
SCHEMBL8500653 0.74 ITGB3 (0.60) LMNAF10NPC1RAB9A
SCHEMBL6778195 0.73 ITGB3 (0.43) F2CASRMEN1KMT2A
SCHEMBL6773735 0.72 TP53 (0.39) F2RAB9ACASRPRMT5WDR77

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0889877-A1 META-SUBSTITUTED PHENYLENE DERIVATIVES AND THEIR USE AS ALPHAvBETA3 INTEGRIN ANTAGONISTS OR INHIBITORS G.D. SEARLE & CO. (US) 1999-01-13 EP claimed
WO-1997036862-A1 META-SUBSTITUTED PHENYLENE DERIVATIVES AND THEIR USE AS ALPHAvBETA3 INTEGRIN ANTAGONISTS OR INHIBITORS G.D. SEARLE & CO. (US) 1997-10-09 WO claimed