SCHEMBL4779524

SCHEMBL4779524

COCCN(c1cc(-c2ccc(-c3cn4ccsc4n3)cc2)sc1C(=O)O)C(=O)[C@H]1CC[C@H](C)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 11/20 0.43
NPC1 O15118 6/20 0.43
RAB9A P51151 6/20 0.43
SMN1; SMN2 Q16637 6/20 0.43
MAPT P10636 6/20 0.41
NFKB1 P19838 2/20 0.41
NFKB2 Q00653 2/20 0.41
RELA Q04206 2/20 0.41
HPGD P15428 2/20 0.40
PKM P14618 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ALDH1A1 P00352 2/20 0.39
LMNA P02545 2/20 0.38
THRB P10828 1/20 0.38
GAA P10253 1/20 0.38
HTT P42858 1/20 0.36
POLB P06746 2/20 0.36
TSHR P16473 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL4779530 1.00 TP53 (0.43) TP53NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL4779075 0.93 TP53 (0.42) TP53NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL4779079 0.93 TP53 (0.42) TP53NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL4777627 0.87 FASN (0.42) TP53NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL4777624 0.87 FASN (0.42) TP53NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL14290989 0.87 TP53 (0.42) TP53NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL4776424 0.86 SMN1; SMN2 (0.42) TP53NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL4776418 0.86 SMN1; SMN2 (0.42) TP53NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL4143244 0.83 TP53 (0.46) TP53NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL4143238 0.83 TP53 (0.46) TP53NPC1RAB9ASMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008017688-A1 2-CARBOXY THIOPHENE DERIVATIVES AS ANTI-VIRAL AGENTS SMITHKLINE BEECHAM CORPORATION (US) 2008-02-14 WO claimed
WO-2008017688-A1 2-CARBOXY THIOPHENE DERIVATIVES AS ANTI-VIRAL AGENTS SMITHKLINE BEECHAM CORPORATION (US) 2008-02-14 WO disclosed
WO-2008017688-A1 2-CARBOXY THIOPHENE DERIVATIVES AS ANTI-VIRAL AGENTS SMITHKLINE BEECHAM CORPORATION (US) 2008-02-14 WO disclosed