SCHEMBL4176804

SCHEMBL4176804

O=C(Nc1c(C2=NCCO2)oc2ccccc12)C(Sc1ccc(Br)cc1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.39
LMNA P02545 6/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
NPSR1 Q6W5P4 3/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 5/20 0.36
ALDH1A1 P00352 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
MAPK1 P28482 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PKM P14618 1/20 0.34

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
SCHEMBL4326021 0.79 ALDH1A1 (0.47) TSHRLMNAMEN1KMT2ANPSR1
SCHEMBL4187378 0.76 KDM4E (0.51) TSHRLMNAMEN1KMT2ANPSR1
SCHEMBL4347955 0.72 TEAD1 (0.41) TSHRLMNAMEN1KMT2ANPSR1
SCHEMBL4738274 0.67 MAPT (0.45) TSHRLMNAMEN1KMT2ANPSR1
SCHEMBL934157 0.66 TSHR (0.54) TSHRLMNAMEN1KMT2ANPSR1
SCHEMBL4734032 0.64 MAPT (0.47) TSHRLMNAMEN1KMT2ANPSR1
SCHEMBL4187568 0.64 ALDH1A1 (0.47) TSHRLMNAMEN1KMT2ANPSR1
SCHEMBL4749247 0.63 MAPT (0.48) TSHRLMNAMEN1KMT2ANPSR1
SCHEMBL11564640 0.63 LMNA (0.51) LMNAMEN1KMT2AMAPTALDH1A1
SCHEMBL933087 0.62 NPSR1 (0.52) TSHRLMNAMEN1KMT2ANPSR1

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-2009048274-A2 BENZOFURAN AND BENZOTHIOPHENE DERIVATIVES SUBSTITUTED WITH AMIDE, PROCESS FOR THE PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2009-04-16 WO claimed
WO-2009048274-A2 BENZOFURAN AND BENZOTHIOPHENE DERIVATIVES SUBSTITUTED WITH AMIDE, PROCESS FOR THE PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2009-04-16 WO disclosed