SCHEMBL9737253

SCHEMBL9737253

O=C(c1ccccc1)C(O)Cc1cccnc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.53
ECE1 P42892 2/20 0.52
NAPRT Q6XQN6 1/20 0.51
LMNA P02545 3/20 0.50
KMT2A Q03164 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
FDPS P14324 1/20 0.50
CHRM1 P11229 1/20 0.49
PLOD2 O00469 1/20 0.49
MDM2 Q00987 1/20 0.49
VNN1 O95497 1/20 0.48
MEN1 O00255 1/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
GAA P10253 2/20 0.47
ALDH1A1 P00352 1/20 0.47
APP P05067 1/20 0.47
HCAR3 P49019 1/20 0.47
HCAR2 Q8TDS4 1/20 0.47

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
SCHEMBL7382984 0.84 NAPRT (0.51) KDM4EECE1NAPRTLMNAKMT2A
SCHEMBL1827062 0.83 KDM4E (0.63) KDM4ENAPRTLMNAFDPSCHRM1
SCHEMBL12238430 0.83 KDM4E (0.63) KDM4ENAPRTLMNAFDPSCHRM1
SCHEMBL30186102 0.83 KDM4E (0.63) KDM4ENAPRTLMNAFDPSCHRM1
SCHEMBL5174680 0.83 KDM4E (0.63) KDM4ENAPRTLMNAFDPSCHRM1
SCHEMBL26065 0.83 MDM2 (0.68) LMNAKMT2ATDP1MDM2ALDH1A1
SCHEMBL27628032 0.82 CHRM1 (0.60) NAPRTLMNAKMT2ATDP1FDPS
SCHEMBL11039118 0.81 KDM4E (0.47) KDM4EECE1NAPRTLMNAKMT2A
SCHEMBL12906734 0.79 FDPS (0.54) KDM4ENAPRTLMNAKMT2AFDPS
SCHEMBL6885074 0.76 KDM4E (0.62) KDM4ENAPRTLMNAFDPSCHRM1

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
US-5118685-A Antiarrhythmia agents BASF AKTIENGESELLSCHAFT (DE) 1992-06-02 US disclosed