SCHEMBL11643261

SCHEMBL11643261

O=C(COc1cc2ccccc2cc1Br)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 3/20 0.53
▸ L3MBTL1 Q9Y468 3/20 0.53
▸ KMT2A Q03164 5/20 0.49
▸ MEN1 O00255 4/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ NCEH1 Q6PIU2 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.47
▸ NPC1 O15118 3/20 0.47
▸ MAPT P10636 3/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ HPGD P15428 1/20 0.45
▸ LMNA P02545 4/20 0.45
▸ MAPK1 P28482 3/20 0.45
▸ HTT P42858 1/20 0.45
▸ GRM4 Q14833 3/20 0.45
▸ ROCK2 O75116 1/20 0.44
▸ TNKS O95271 1/20 0.44
▸ PARP1 P09874 1/20 0.44
▸ ROCK1 Q13464 1/20 0.44

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
SCHEMBL31692111 0.95 TDP1 (0.54) TDP1L3MBTL1KMT2AMEN1ALDH1A1
SCHEMBL19668428 0.95 TDP1 (0.54) TDP1L3MBTL1KMT2AMEN1ALDH1A1
SCHEMBL7116077 0.82 CYP1A2 (0.52) TDP1L3MBTL1KMT2AMEN1ALDH1A1
SCHEMBL6221568 0.81 PTGDR2 (0.57) TDP1L3MBTL1KMT2AMEN1ALDH1A1
SCHEMBL7804236 0.80 GRM4 (0.64) TDP1L3MBTL1KMT2AMEN1ALDH1A1
SCHEMBL11555227 0.79 L3MBTL1 (0.57) TDP1L3MBTL1KMT2AMEN1ALDH1A1
SCHEMBL10675993 0.79 LMNA (0.57) TDP1KMT2AMEN1ALDH1A1NPC1
SCHEMBL11358956 0.79 L3MBTL1 (0.57) TDP1L3MBTL1KMT2AMEN1ALDH1A1
SCHEMBL22414714 0.78 ROCK2 (0.53) TDP1L3MBTL1KMT2AMEN1ALDH1A1
SCHEMBL26363863 0.78 L3MBTL1 (0.49) TDP1L3MBTL1KMT2AMEN1ALDH1A1

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
US-4111962-A Certain substituted 2-phenylnaphtho[1,2-b]furane and -[2,1-b]furane STERLING DRUG INC. (US) 1978-09-05 — — US disclosed
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