SCHEMBL18106944

SCHEMBL18106944

O=C(Cc1cccs1)N1CCC(CCO)CC1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.60
MEN1 O00255 3/20 0.60
HSD17B10 Q99714 2/20 0.60
ALDH1A1 P00352 6/20 0.57
SMN1; SMN2 Q16637 4/20 0.57
HTT P42858 1/20 0.56
LMNA P02545 2/20 0.53
PKM P14618 2/20 0.53
KDM4E B2RXH2 2/20 0.52
MAPT P10636 2/20 0.52
HPGD P15428 2/20 0.52
CASP1 P29466 1/20 0.52
GFER P55789 1/20 0.51
POLB P06746 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
TSHR P16473 1/20 0.50
GAA P10253 1/20 0.50
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46

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
SCHEMBL12676717 0.89 KMT2A (0.58) KMT2AMEN1HSD17B10ALDH1A1SMN1; SMN2
SCHEMBL8781421 0.79 HTT (0.65) KMT2AMEN1HSD17B10ALDH1A1SMN1; SMN2
SCHEMBL4947647 0.79 HTT (0.65) KMT2AMEN1HSD17B10ALDH1A1SMN1; SMN2
SCHEMBL18106966 0.78 HDAC3 (0.66) KMT2AMEN1ALDH1A1HTTKDM4E
SCHEMBL6190463 0.78 HTT (0.63) KMT2AMEN1HSD17B10ALDH1A1SMN1; SMN2
SCHEMBL15134835 0.78 HTT (0.72) KMT2AMEN1HSD17B10ALDH1A1SMN1; SMN2
SCHEMBL7233482 0.77 ALDH1A1 (0.54) KMT2AMEN1HSD17B10ALDH1A1SMN1; SMN2
SCHEMBL10373273 0.77 HTT (0.62) KMT2AMEN1HSD17B10ALDH1A1SMN1; SMN2
SCHEMBL10245532 0.76 HTT (0.65) KMT2AMEN1HSD17B10ALDH1A1SMN1; SMN2
SCHEMBL19961339 0.75 ALDH1A1 (0.67) KMT2AMEN1HSD17B10ALDH1A1SMN1; SMN2

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-2493862-B1 IMIDAZOLE DERIVATIVES AS IDO INHIBITORS NEWLINK GENETICS CORP (US) 2016-10-05 EP disclosed