SCHEMBL4749283

SCHEMBL4749283

O=C(O)c1ccsc1NC(=O)C(Sc1ccc(Br)cc1)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.45
LMNA P02545 3/20 0.45
PTPN2 P17706 1/20 0.44
PTPRB P23467 1/20 0.44
PTPN6 P29350 1/20 0.44
ALDH1A1 P00352 2/20 0.44
TSHR P16473 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
PKM P14618 1/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
NPSR1 Q6W5P4 2/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL4749651 0.89 KDM4E (0.54) MAPTLMNAALDH1A1TDP1L3MBTL1
SCHEMBL4749247 0.81 MAPT (0.48) MAPTLMNAPTPN2ALDH1A1TSHR
SCHEMBL4738274 0.77 MAPT (0.45) MAPTLMNAALDH1A1TSHRTDP1
SCHEMBL4751445 0.76 L3MBTL1 (0.58) MAPTLMNAALDH1A1TDP1L3MBTL1
SCHEMBL4783860 0.75 MAPT (0.48) MAPTLMNAALDH1A1TDP1L3MBTL1
SCHEMBL4752200 0.73 RAB9A (0.52) MAPTLMNAPTPN2PTPRBPTPN6
SCHEMBL934157 0.72 TSHR (0.54) MAPTLMNAALDH1A1TSHRTDP1
SCHEMBL11564640 0.72 LMNA (0.51) MAPTLMNAALDH1A1L3MBTL1KDM4E
SCHEMBL30216449 0.70 ALDH1A1 (0.57) MAPTLMNAPTPN2PTPRBPTPN6
SCHEMBL4326021 0.70 ALDH1A1 (0.47) MAPTLMNAALDH1A1TSHRTDP1

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
WO-2008140214-A1 USE OF AMINOTHIOPHENE DERIVATIVE FOR PREVENTING OR TREATING ISCHEMIC DISEASES KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2008-11-20 WO claimed
WO-2008140214-A1 USE OF AMINOTHIOPHENE DERIVATIVE FOR PREVENTING OR TREATING ISCHEMIC DISEASES KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2008-11-20 WO disclosed