SCHEMBL11080774

SCHEMBL11080774

CC(C)c1ccc(NNc2c(C(=O)O)cnc3ccsc23)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.42
RAB9A P51151 6/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ALDH1A1 P00352 7/20 0.38
POLB P06746 4/20 0.38
GAA P10253 4/20 0.38
PKM P14618 1/20 0.38
GPR35 Q9HC97 1/20 0.37
GPR55 Q9Y2T6 1/20 0.37
MAPT P10636 5/20 0.37
KDM4E B2RXH2 2/20 0.37
HTT P42858 1/20 0.37
DHODH Q02127 1/20 0.36
RECQL P46063 1/20 0.36
AGTR1 P30556 1/20 0.36
MCL1 Q07820 1/20 0.35
LMNA P02545 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
SCHEMBL11084724 0.87 ALDH1A1 (0.45) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL11084270 0.87 MEN1 (0.37) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL11086602 0.85 ALDH1A1 (0.41) RAB9AMEN1KMT2AALDH1A1GAA
SCHEMBL11084914 0.84 KDR (0.46) NPC1RAB9ASMN1; SMN2ALDH1A1POLB
SCHEMBL11083402 0.81 CSNK2A1 (0.42) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL11085398 0.81 MAPT (0.41) NPC1MEN1KMT2AALDH1A1POLB
SCHEMBL11092605 0.74 L3MBTL1 (0.43) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL11092541 0.70 KMT2A (0.40) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL15736808 0.70 SPR (0.46) MEN1KMT2AALDH1A1POLBMAPT
SCHEMBL4900637 0.70 AXL (0.43) MEN1KMT2ASMN1; SMN2MAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0126970-A2 Anxiolytic and anti-depressant thienopyridine derivatives BEECHAM GROUP PLC (GB) 1984-12-05 EP claimed
EP-0126970-A2 Anxiolytic and anti-depressant thienopyridine derivatives BEECHAM GROUP PLC (GB) 1984-12-05 EP disclosed