SCHEMBL20179732

SCHEMBL20179732

CCCN(C(=O)CCCCCN(C)C)[C@@H](CC)C(=O)NCc1cccs1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
USP2 O75604 2/20 0.45
HPGD P15428 5/20 0.40
HTT P42858 1/20 0.40
GAA P10253 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ALDH1A1 P00352 4/20 0.39
TSHR P16473 3/20 0.39
POLB P06746 2/20 0.39
RAB9A P51151 2/20 0.39
ADAM17 P78536 1/20 0.38
MAPT P10636 4/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MEN1 O00255 1/20 0.38
PKM P14618 1/20 0.38
KMT2A Q03164 1/20 0.38
TP53 P04637 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL24799334 0.72 USP2 (0.44) USP2HPGDGAANPSR1ALDH1A1
SCHEMBL20179460 0.69 USP2 (0.43) USP2HTTGAANPSR1ALDH1A1
SCHEMBL24798935 0.69 USP2 (0.44) USP2HPGDGAANPSR1ALDH1A1
SCHEMBL24804488 0.69 TSHR (0.50) USP2HPGDHTTGAANPSR1
SCHEMBL9784530 0.69 USP2 (0.82) USP2HPGDGAAALDH1A1TSHR
SCHEMBL8269685 0.67 USP2 (0.85) USP2HPGDGAAALDH1A1TSHR
SCHEMBL1107021 0.66 GAA (0.62) USP2HPGDHTTGAANPSR1
SCHEMBL24805790 0.66 MAPT (0.57) USP2HPGDGAANPSR1ALDH1A1
SCHEMBL6078444 0.66 LMNA (0.60) USP2HPGDHTTGAAALDH1A1
SCHEMBL8269659 0.65 USP2 (0.76) USP2HPGDGAAALDH1A1TSHR

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
WO-2018093695-A1 FACTOR XIIa INHIBITORS MERCK SHARP & DOHME CORP. (US) 2018-05-24 WO disclosed