SCHEMBL18677693

SCHEMBL18677693

CNCc1c(OCc2ccccc2)c(=O)cc(C)n1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
NPC1 O15118 2/20 0.43
HTT P42858 2/20 0.43
HPGD P15428 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
RAB9A P51151 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 2/20 0.43
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43
HTR2C P28335 4/20 0.41
SLC6A4 P31645 4/20 0.41
HTR2A P28223 1/20 0.41
MCHR1 Q99705 1/20 0.41
NPSR1 Q6W5P4 1/20 0.39
CYP1A2 P05177 1/20 0.39
MMP1 P03956 1/20 0.38
MMP7 P09237 1/20 0.38
MMP9 P14780 1/20 0.38

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
SCHEMBL20026441 0.85 MEN1 (0.40) MEN1KMT2ANPC1HTTHPGD
SCHEMBL28411171 0.84 HTT (0.43) MEN1KMT2ANPC1HTTHPGD
SCHEMBL15020503 0.84 MEN1 (0.45) MEN1KMT2ANPC1HTTHPGD
SCHEMBL7548107 0.84 MEN1 (0.45) MEN1KMT2ANPC1HTTHPGD
SCHEMBL15486359 0.84 MEN1 (0.45) MEN1KMT2ANPC1HTTHPGD
SCHEMBL28954561 0.83 SMN1; SMN2 (0.42) MEN1KMT2ANPC1HTTHPGD
SCHEMBL28411267 0.83 LMNA (0.46) MEN1KMT2ANPC1HTTHPGD
Hydrochloric Acid SCHEMBL6990702 0.83 MEN1 (0.44) MEN1KMT2ANPC1HTTHPGD
SCHEMBL28413423 0.83 L3MBTL1 (0.49) MEN1KMT2AHTTHPGDSMN1; SMN2
SCHEMBL6998737 0.82 ALDH1A1 (0.43) MEN1KMT2ANPC1HTTHPGD

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-2637705-B1 CONJUGATES AND THEIR USES IN MOLECULAR IMAGING KING S COLLEGE LONDON (GB) 2017-03-29 EP disclosed