SCHEMBL9409093

SCHEMBL9409093

COC(=O)c1cc(Nc2cccc(F)c2)c(Nc2cccc(F)c2)cc1C(N)=O

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.52
CSF1R P07333 1/20 0.50
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
MAPT P10636 2/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
SIRT2 Q8IXJ6 8/20 0.47
ALOX5 P09917 1/20 0.47
ALOX15 P16050 1/20 0.46
KDM4E B2RXH2 2/20 0.45
PKM P14618 1/20 0.45
SIRT1 Q96EB6 4/20 0.44
GAA P10253 1/20 0.44
PDE4B Q07343 1/20 0.41

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
SCHEMBL9409031 0.90 LMNA (0.61) LMNACSF1RMEN1KMT2ANPC1
SCHEMBL9409034 0.85 ALDH1A1 (0.56) LMNAMEN1KMT2AMAPTNPC1
SCHEMBL9409062 0.85 SIRT2 (0.47) MAPTSIRT2ALOX15SIRT1PDE4B
SCHEMBL9409200 0.85 AKR1C3 (0.52) CSF1RMEN1KMT2AMAPTSIRT2
SCHEMBL9409104 0.85 SIRT2 (0.52) LMNACSF1RMEN1KMT2AMAPT
SCHEMBL9409202 0.84 MAPT (0.64) MAPTSIRT2ALOX15SIRT1GAA
SCHEMBL9409049 0.84 AKR1C3 (0.58) LMNAMEN1KMT2AMAPTNPC1
SCHEMBL9409026 0.83 SIRT2 (0.55) LMNAKMT2AMAPTSIRT2ALOX15
SCHEMBL9409168 0.83 AKR1C3 (0.56) MAPTNPC1SIRT2ALOX15GAA
SCHEMBL9409059 0.82 ALDH1A1 (0.58) LMNAMEN1KMT2AMAPTNPC1

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-0600832-A1 Derivatives of diamino benzoic and diamino phthalic acid und their use as protein linase inhibitors CIBA-GEIGY AG (CH) 1994-06-08 EP disclosed