SCHEMBL6987692

SCHEMBL6987692

Cc1nc(OC(=O)CN)cs1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.37
NPC1 O15118 4/20 0.37
MAPT P10636 2/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 6/20 0.36
TDP1 Q9NUW8 1/20 0.36
PKM P14618 1/20 0.35
POLB P06746 2/20 0.34
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
HTT P42858 1/20 0.34
TP53 P04637 1/20 0.34
ECE1 P42892 2/20 0.33
LMNA P02545 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HIF1A Q16665 1/20 0.33

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
SCHEMBL27799074 0.84 SMN1; SMN2 (0.40) RAB9ANPC1MAPTKMT2AMEN1
SCHEMBL10754839 0.81 CYP1A2 (0.39) RAB9ANPC1MAPTKMT2AMEN1
SCHEMBL11668532 0.81 ALDH1A1 (0.45) RAB9ANPC1MAPTKMT2AMEN1
SCHEMBL2771532 0.78 RAB9A (0.38) RAB9ANPC1MAPTSMN1; SMN2TDP1
SCHEMBL5230966 0.76 SMN1; SMN2 (0.43) RAB9ANPC1MAPTKMT2AMEN1
SCHEMBL10655226 0.73 HPGD (0.41) RAB9AMAPTKMT2AMEN1ALDH1A1
SCHEMBL27820098 0.72 POLB (0.43) RAB9ANPC1MAPTKMT2AMEN1
SCHEMBL27575996 0.70 KMT2A (0.48) RAB9ANPC1MAPTKMT2AMEN1
SCHEMBL27336449 0.69 ALDH1A1 (0.47) RAB9ANPC1MAPTKMT2AMEN1
SCHEMBL27560937 0.68 KDM4E (0.37) ALDH1A1KDM4E

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1289954-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2003-03-12 EP disclosed
EP-1289972-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2003-03-12 EP disclosed
WO-2001096303-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2001-12-20 WO disclosed
WO-2001096323-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2001-12-20 WO disclosed