SCHEMBL9788373

SCHEMBL9788373

Nc1ccc(OC(=O)c2ccc3cc(C(=O)O)ccc3c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.53
F2 P00734 4/20 0.53
PRSS1 P07477 4/20 0.53
KMT2A Q03164 4/20 0.53
PRSS2 P07478 3/20 0.53
PRSS3 P35030 3/20 0.53
PKM P14618 1/20 0.53
NR1H4 Q96RI1 1/20 0.48
MAPT P10636 6/20 0.47
MEN1 O00255 3/20 0.47
PARP10 Q53GL7 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
HGFAC Q04756 2/20 0.45
LMNA P02545 2/20 0.43
ADORA3 P0DMS8 2/20 0.43
CHRM1 P11229 2/20 0.43
ADRA1A P35348 2/20 0.43
SLC6A3 Q01959 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TP53 P04637 1/20 0.43

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
SCHEMBL4132832 0.94 KMT2A (0.57) KDM4EF2PRSS1KMT2APRSS2
SCHEMBL9788371 0.93 F2 (0.58) F2PRSS1KMT2APRSS2PRSS3
SCHEMBL6052916 0.92 KMT2A (0.58) KDM4EF2PRSS1KMT2APRSS2
SCHEMBL11649516 0.87 KMT2A (0.60) F2PRSS1KMT2APRSS2PRSS3
SCHEMBL27769736 0.87 PARP10 (0.51) KDM4EF2PRSS1KMT2APRSS2
SCHEMBL9003587 0.86 PRSS1 (0.63) F2PRSS1KMT2APRSS2PRSS3
SCHEMBL8585571 0.86 PRSS1 (0.63) F2PRSS1KMT2APRSS2PRSS3
SCHEMBL5698842 0.86 KDM4E (0.65) KDM4EF2PRSS1KMT2AMAPT
SCHEMBL28624473 0.86 KDM4E (0.57) KDM4EKMT2AMAPTMEN1PARP10
SCHEMBL29637878 0.84 MAPT (0.57) KDM4EPRSS1KMT2AMAPTMEN1

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
JP-3279350-A None JP disclosed
JP-H03279350-A DIAMINE DERIVATIVE HAVING NAPHTHALENE SKELETON NIPPON STEEL CHEM CO LTD 1991-12-10 JP disclosed