SCHEMBL6672463

SCHEMBL6672463

O=C(O)[C@H](CO)Nc1cccc2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
CA12 O43570 2/20 0.51
CA14 Q9ULX7 2/20 0.51
CA2 P00918 1/20 0.51
MMP2 P08253 1/20 0.51
MMP9 P14780 1/20 0.51
MMP8 P22894 1/20 0.51
MMP14 P50281 1/20 0.51
ALDH1A1 P00352 4/20 0.50
CHRNB2 P17787 1/20 0.49
CHRNB4 P30926 1/20 0.49
CHRNA3 P32297 1/20 0.49
CHRNA4 P43681 1/20 0.49
CYP1A2 P05177 2/20 0.49
CYP3A4 P08684 2/20 0.49
CYP2C9 P11712 2/20 0.49
CYP2C19 P33261 2/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49

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
SCHEMBL6672462 1.00 MEN1 (0.55) MEN1KMT2ACA12CA14CA2
SCHEMBL28175306 0.84 MEN1 (0.71) MEN1KMT2ACA12CA14CA2
SCHEMBL27633061 0.84 MEN1 (0.71) MEN1KMT2ACA12CA14CA2
SCHEMBL9386926 0.83 ANPEP (0.60) MEN1KMT2ACA12CA14CA2
SCHEMBL7268268 0.83 ANPEP (0.60) MEN1KMT2ACA12CA14CA2
SCHEMBL6105902 0.83 ANPEP (0.60) MEN1KMT2ACA12CA14CA2
SCHEMBL27484019 0.83 KMT2A (0.51) MEN1KMT2ACA12CA14CA2
SCHEMBL27577953 0.81 MEN1 (0.49) MEN1KMT2ACA12CA14CA2
SCHEMBL12984801 0.78 ALDH1A1 (0.49) MEN1KMT2AALDH1A1CYP2C9RAB9A
SCHEMBL11668813 0.78 KIF11 (0.48) MEN1KMT2ACA12CA14CA2

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-0736036-B1 KININOGEN INHIBITORS FERRING BV (NL) 2004-10-13 EP disclosed
WO-1995007291-A1 KININOGEN INHIBITORS FERRING B.V. (NL) 1995-03-16 WO disclosed