SCHEMBL9068413

SCHEMBL9068413

Cc1cc(Br)c(N)cc1Br

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.46
TSHR P16473 3/20 0.46
MAPK1 P28482 1/20 0.46
POLB P06746 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
ALDH1A1 P00352 7/20 0.40
TDP1 Q9NUW8 4/20 0.40
MAPT P10636 3/20 0.39
NPSR1 Q6W5P4 2/20 0.39
MEN1 O00255 1/20 0.39
APAF1 O14727 1/20 0.39
THRB P10828 1/20 0.39
NR4A1 P22736 1/20 0.39
RECQL P46063 1/20 0.39
BLM P54132 1/20 0.39
KMT2A Q03164 1/20 0.39
PTPN11 Q06124 1/20 0.39
UHRF1 Q96T88 1/20 0.37
CYP1A2 P05177 1/20 0.37
ALOX15 P16050 1/20 0.37

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
SCHEMBL10620546 0.97 CYP3A4 (0.43) CYP3A4TSHRMAPK1POLBL3MBTL1
SCHEMBL2321600 0.89 CYP3A4 (0.52) CYP3A4TSHRMAPK1POLBL3MBTL1
SCHEMBL1199708 0.86 CYP3A4 (0.63) CYP3A4TSHRMAPK1POLBL3MBTL1
SCHEMBL3439643 0.86 CYP3A4 (0.63) CYP3A4TSHRMAPK1POLBL3MBTL1
SCHEMBL8121628 0.86 CYP3A4 (0.55) CYP3A4TSHRMAPK1POLBL3MBTL1
SCHEMBL272760 0.86 CYP3A4 (0.63) CYP3A4TSHRMAPK1POLBL3MBTL1
SCHEMBL4508097 0.86 TSHR (0.63) CYP3A4TSHRMAPK1POLBL3MBTL1
SCHEMBL3046974 0.86 CYP3A4 (0.55) CYP3A4TSHRMAPK1POLBL3MBTL1
SCHEMBL31387618 0.86 CYP3A4 (0.63) CYP3A4TSHRMAPK1POLBL3MBTL1
SCHEMBL29690253 0.86 CYP3A4 (0.55) CYP3A4TSHRMAPK1POLBL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-63273662-A None JP disclosed
US-5583230-A Polymerizable compound having mildew resistance and polymer thereof TOYO BOSEKI KABUSHIKI KAISHA (JP) 1996-12-10 US disclosed
US-5583230-A Polymerizable compound having mildew resistance and polymer thereof TOYO BOSEKI KABUSHIKI KAISHA (JP) 1996-12-10 US disclosed
US-5280027-A Quinazoline containing compound IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1994-01-18 US disclosed
EP-0459730-A2 Anti-tumour compounds ZENECA LIMITED (GB) 1991-12-04 EP disclosed
US-4956431-A FUNGICIDES TOYO BOSEKI KABUSHIKI KAISHA (JP) 1990-09-11 US disclosed
US-4956431-A FUNGICIDES TOYO BOSEKI KABUSHIKI KAISHA (JP) 1990-09-11 US disclosed
JP-S63273662-A POLYURETHANE COMPOSITION TOYOBO CO LTD 1988-11-10 JP disclosed