SCHEMBL13074367

SCHEMBL13074367

O=C(NCCc1ccc2c(c1)OCO2)C1Cc2ccccc2CN1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
LMNA P02545 3/20 0.50
NAMPT P43490 1/20 0.49
HDAC8 Q9BY41 1/20 0.48
FAAH O00519 3/20 0.48
NPC1 O15118 3/20 0.48
RAB9A P51151 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
KDM4E B2RXH2 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
HPGD P15428 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HTT P42858 1/20 0.45

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
SCHEMBL13037186 1.00 MEN1 (0.59) MEN1KMT2ALMNANAMPTHDAC8
SCHEMBL13073431 0.81 KMT2A (0.85) MEN1KMT2AHDAC8
SCHEMBL19972744 0.81 KMT2A (0.85) MEN1KMT2AHDAC8
SCHEMBL4649174 0.79 TSHR (0.42) MEN1KMT2ALMNANAMPTSMN1; SMN2
SCHEMBL21540683 0.77 KDM4E (0.55) MEN1KMT2ALMNAFAAHNPC1
SCHEMBL2601969 0.77 NAMPT (0.53) LMNANAMPTFAAHNPC1RAB9A
SCHEMBL4649677 0.77 SIGMAR1 (0.46) LMNAFAAHTSHRALDH1A1
SCHEMBL5195093 0.76 SMN1; SMN2 (0.49) MEN1KMT2ALMNAHDAC8FAAH
SCHEMBL3378134 0.76 TSHR (0.65) MEN1KMT2ALMNAFAAHNPC1
SCHEMBL29407510 0.76 TSHR (0.65) MEN1KMT2ALMNAFAAHNPC1

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-7825256-B2 Inducible nitric oxide synthase dimerization inhibitors KALYPSYS, INC. (US) 2010-11-02 US disclosed