SCHEMBL7145678

SCHEMBL7145678

COc1ccc(-c2cccs2)n2nc(NC(=O)c3ccccc3Br)nc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.44
KMT2A Q03164 2/20 0.44
F2 P00734 1/20 0.44
RAB9A P51151 4/20 0.43
POLB P06746 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
ALDH1A1 P00352 3/20 0.43
GAA P10253 2/20 0.43
HPGD P15428 2/20 0.43
KDM4E B2RXH2 2/20 0.43
GFER P55789 1/20 0.43
MEN1 O00255 1/20 0.43
ESR1 P03372 1/20 0.43
TSHR P16473 1/20 0.40
PTGS2 P35354 1/20 0.40
KLKB1 P03952 1/20 0.39
KLK1 P06870 1/20 0.39
LMNA P02545 1/20 0.39
NPC1 O15118 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL7151229 0.89 KMT2A (0.51) MAPTKMT2AF2RAB9APOLB
SCHEMBL7042535 0.86 CYP1A2 (0.44) MAPTKMT2AF2RAB9APOLB
SCHEMBL7042500 0.86 MAPT (0.46) MAPTKMT2AF2RAB9ASMN1; SMN2
SCHEMBL7152468 0.85 PDE4D (0.48) MAPTKMT2AF2RAB9APOLB
SCHEMBL7146666 0.83 ALDH1A1 (0.53) MAPTKMT2AF2RAB9APOLB
SCHEMBL7041685 0.82 GABRD (0.47) MAPTKMT2AF2RAB9APOLB
SCHEMBL7147869 0.80 NPC1 (0.56) MAPTKMT2ARAB9ASMN1; SMN2ALDH1A1
SCHEMBL7041864 0.80 HDAC6 (0.44) MAPTKMT2AF2RAB9APOLB
SCHEMBL7043536 0.80 MAPT (0.48) MAPTKMT2AF2RAB9APOLB
SCHEMBL7148818 0.78 KDM4E (0.42) MAPTKMT2AF2RAB9APOLB

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
US-6514989-B1 Has a good affinity to the adenosine receptor and can therefore be used for the treatment or protection of diseases mediated by this receptor HOFFMANN-LA ROCHE INC. 2003-02-04 US disclosed
US-6514989-B1 Has a good affinity to the adenosine receptor and can therefore be used for the treatment or protection of diseases mediated by this receptor HOFFMANN-LA ROCHE INC. 2003-02-04 US disclosed
US-6514989-B1 Has a good affinity to the adenosine receptor and can therefore be used for the treatment or protection of diseases mediated by this receptor HOFFMANN-LA ROCHE INC. 2003-02-04 US disclosed