SCHEMBL4112508

SCHEMBL4112508

Cn1c(C(=O)NCc2ccccc2)cc2ccccc21

nearest known ligand 0.76

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.76
KMT2A Q03164 2/20 0.76
L3MBTL1 Q9Y468 1/20 0.76
LMNA P02545 4/20 0.64
TP53 P04637 4/20 0.64
RXFP1 Q9HBX9 2/20 0.64
MCL1 Q07820 1/20 0.60
NAMPT P43490 1/20 0.58
POLB P06746 1/20 0.58
RAB9A P51151 2/20 0.57
KDM4E B2RXH2 1/20 0.57
ALDH1A1 P00352 1/20 0.57
GAA P10253 1/20 0.57
HPGD P15428 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
HDAC1 Q13547 1/20 0.57
HDAC2 Q92769 1/20 0.57
NPC1 O15118 1/20 0.55
F10 P00742 1/20 0.55

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
SCHEMBL5669246 0.84 MCL1 (0.62) MEN1KMT2AL3MBTL1LMNATP53
SCHEMBL7047250 0.84 F10 (0.59) MEN1KMT2AL3MBTL1TP53ALDH1A1
SCHEMBL13753351 0.84 MCL1 (0.61) MEN1KMT2AL3MBTL1LMNATP53
SCHEMBL30174163 0.82 HDAC1 (0.66) MEN1KMT2AL3MBTL1RXFP1MCL1
SCHEMBL30174165 0.82 HDAC1 (0.66) MEN1KMT2AL3MBTL1RXFP1MCL1
SCHEMBL3551679 0.82 HDAC1 (0.66) MEN1KMT2AL3MBTL1RXFP1MCL1
SCHEMBL19308452 0.81 HDAC1 (0.65) MEN1KMT2AL3MBTL1LMNATP53
SCHEMBL30525414 0.80 MCL1 (0.65) MEN1KMT2AL3MBTL1MCL1RAB9A
SCHEMBL31162122 0.80 MEN1 (0.52) MEN1KMT2AL3MBTL1LMNATP53
SCHEMBL31162124 0.80 MEN1 (0.52) MEN1KMT2AL3MBTL1LMNATP53

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-1284963-B1 NOVEL CALCIUM RECEPTOR ACTIVE MOLECULES AND METHOD FOR PREPARING SAME CENTRE NAT RECH SCIENT (FR) 2012-05-09 EP disclosed