SCHEMBL20179589

SCHEMBL20179589

CCN[C@@H](CC)C(=O)NCc1cccs1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.53
ALDH1A1 P00352 4/20 0.51
HPGD P15428 4/20 0.51
GAA P10253 2/20 0.51
NPSR1 Q6W5P4 1/20 0.51
TSHR P16473 3/20 0.50
USP2 O75604 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
RAB9A P51151 1/20 0.49
MAPT P10636 2/20 0.48
KMT2A Q03164 2/20 0.48
LMNA P02545 1/20 0.48
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 1/20 0.48
PKM P14618 1/20 0.48
HTT P42858 1/20 0.48
HSD17B10 Q99714 1/20 0.48

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
SCHEMBL20179492 0.84 SMN1; SMN2 (0.58) POLBALDH1A1HPGDGAANPSR1
SCHEMBL1107021 0.79 GAA (0.62) POLBALDH1A1HPGDGAANPSR1
SCHEMBL10253878 0.77 GAA (0.60) POLBALDH1A1HPGDGAANPSR1
SCHEMBL17712437 0.76 GAA (0.61) POLBALDH1A1HPGDGAANPSR1
SCHEMBL15075357 0.76 CYP2C19 (0.53) POLBALDH1A1HPGDSMN1; SMN2RAB9A
SCHEMBL20363266 0.76 GAA (0.63) POLBALDH1A1HPGDGAANPSR1
SCHEMBL24805790 0.75 MAPT (0.57) POLBALDH1A1HPGDGAANPSR1
SCHEMBL14047269 0.75 CYP2C19 (0.49) ALDH1A1NPSR1RAB9AMAPTKMT2A
SCHEMBL28226208 0.74 ALOX15 (0.62) POLBALDH1A1HPGDGAANPSR1
SCHEMBL1709325 0.73 HPGD (0.72) POLBALDH1A1HPGDGAATSHR

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