SCHEMBL21190855

SCHEMBL21190855

O=Cc1ccc(Oc2ccc(F)cc2)c(Br)c1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
TTR P02766 1/20 0.45
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
KMT2A Q03164 2/20 0.40
HSPB1 P04792 2/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
TSHR P16473 1/20 0.40
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
HPGD P15428 1/20 0.39
EPAS1 Q99814 3/20 0.39
PTPN1 P18031 2/20 0.38
NFE2L2 Q16236 1/20 0.38
SOS1 Q07889 1/20 0.38
ALDH1A3 P47895 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
SCHEMBL6142702 0.90 ALDH1A1 (0.45) ALDH1A1L3MBTL1TTRCRHBPCRHR2
SCHEMBL15055488 0.84 HSD17B10 (0.47) ALDH1A1L3MBTL1TTRKMT2ATSHR
SCHEMBL203768 0.83 TTR (0.64) ALDH1A1TTRKMT2AMAOAMAOB
SCHEMBL30816847 0.83 ALDH1A1 (0.51) ALDH1A1L3MBTL1TTRCRHBPCRHR2
SCHEMBL6142767 0.83 ALDH1A1 (0.51) ALDH1A1L3MBTL1TTRCRHBPCRHR2
SCHEMBL30443455 0.83 EPAS1 (0.55) ALDH1A1L3MBTL1TTRKMT2AHSPB1
SCHEMBL15068219 0.83 EPAS1 (0.55) ALDH1A1L3MBTL1TTRKMT2AHSPB1
SCHEMBL21856167 0.82 TTR (0.38) ALDH1A1TTRKMT2ATSHRMEN1
SCHEMBL27689753 0.81 PKM (0.47) ALDH1A1L3MBTL1HSPB1TSHREPAS1
SCHEMBL2810532 0.81 ALDH1A1 (0.45) ALDH1A1L3MBTL1TTRCRHBPCRHR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019141131-A1 BROMODOMAIN INHIBITOR COMPOUND AND USE THEREOF 中国科学院上海药物研究所 2019-07-25 WO disclosed