SCHEMBL5310230

SCHEMBL5310230

CCOC(=O)c1ccc(NC(=O)C=Cc2cccs2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 1.00
RAB9A P51151 9/20 1.00
MEN1 O00255 8/20 1.00
KMT2A Q03164 8/20 1.00
SMN1; SMN2 Q16637 7/20 1.00
ALDH1A1 P00352 6/20 1.00
NPC1 O15118 6/20 1.00
MAPK1 P28482 3/20 1.00
CASP3 P42574 2/20 1.00
SENP8 Q96LD8 2/20 1.00
SENP7 Q9BQF6 2/20 1.00
SENP6 Q9GZR1 2/20 1.00
KDM4E B2RXH2 3/20 0.83
HPGD P15428 3/20 0.83
NPSR1 Q6W5P4 1/20 0.57
LMNA P02545 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
GAA P10253 2/20 0.55

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
SCHEMBL5310226 1.00 MAPT (1.00) MAPTRAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL28774771 0.84 MAPT (0.72) MAPTRAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL3040770 0.82 RAB9A (0.69) MAPTRAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL3040771 0.82 RAB9A (0.69) MAPTRAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL8751517 0.80 EGFR (0.68) MAPTRAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL8751516 0.80 EGFR (0.68) MAPTRAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL19003260 0.80 RAB9A (0.67) MAPTRAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL9767800 0.80 ALDH1A1 (0.67) MAPTRAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL19003301 0.79 MAPT (0.65) MAPTRAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL18985299 0.78 RAB9A (0.74) MAPTRAB9AMEN1KMT2ASMN1; SMN2

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
US-20070148185-A1 Novel therapeutic target for protozoal diseases VIRGINIA POLYTECHNIC INSTITUTE AND STATE UNIVERSITY 2007-06-28 US claimed
WO-2007047579-A2 A NOVEL THERAPEUTIC TARGET FOR PROTOZOAL DISEASES VIRGINIA TECH INTELLECTUAL PROPERTIES, INC. (US) 2007-04-26 WO claimed