SCHEMBL8711532

SCHEMBL8711532

CS(=O)(=O)c1ccc2nc(Sc3nnnn3-c3sccc3C(=O)O)sc2c1.O=C(O)c1ccc2nc(Sc3nnnn3-c3sccc3C(=O)O)sc2c1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
MEN1 O00255 5/20 0.37
KMT2A Q03164 5/20 0.37
ALDH1A1 P00352 8/20 0.36
RXFP1 Q9HBX9 4/20 0.36
LMNA P02545 2/20 0.36
PKM P14618 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
TP53 P04637 1/20 0.36
KDM4E B2RXH2 4/20 0.36
NPSR1 Q6W5P4 2/20 0.36
HPGD P15428 2/20 0.35
BLM P54132 1/20 0.35
CSNK1D P48730 1/20 0.35
RECQL P46063 1/20 0.35
ACP1 P24666 1/20 0.35

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
SCHEMBL8047480 0.96 ALDH1A1 (0.39) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL8042895 0.91 ALDH1A1 (0.40) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL8710077 0.91 MEN1 (0.40) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL8043014 0.84 RECQL (0.49) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL8048299 0.83 PKM (0.39) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL8033976 0.82 ALDH1A1 (0.39) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL8711373 0.81 CSNK1D (0.47) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL8045215 0.80 PDK1 (0.47) RAB9AMEN1KMT2AALDH1A1LMNA
SCHEMBL8032479 0.80 ALDH1A1 (0.47) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL8042782 0.78 PKM (0.39) NPC1RAB9AMEN1KMT2AALDH1A1

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-1998027092-A1 THIAZOLE COMPOUNDS AND METHODS OF MODULATING SIGNAL TRANSDUCTION SUGEN, INC. (US) 1998-06-25 WO disclosed