SCHEMBL9170104

SCHEMBL9170104

O=C(O)c1cc(Br)ccc1Nc1cccc2c1C(=O)c1ccccc1C2=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.52
▸ L3MBTL1 Q9Y468 2/20 0.52
▸ FABP4 P15090 2/20 0.49
▸ CYP1A2 P05177 2/20 0.49
▸ FABP3 P05413 1/20 0.49
▸ MPO P05164 1/20 0.48
▸ MAOA P21397 1/20 0.48
▸ MAPT P10636 6/20 0.47
▸ MAPK1 P28482 5/20 0.47
▸ MEN1 O00255 4/20 0.47
▸ KMT2A Q03164 4/20 0.47
▸ P2RY4 P51582 3/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ RXFP1 Q9HBX9 1/20 0.47
▸ GNG2 P59768 1/20 0.46
▸ GNB1 P62873 1/20 0.46
▸ HIF1A Q16665 1/20 0.46
▸ P2RY12 Q9H244 1/20 0.46

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
SCHEMBL8444248 0.85 ALDH1A1 (0.68) ALDH1A1L3MBTL1FABP4CYP1A2FABP3
SCHEMBL29967042 0.82 FABP4 (0.63) ALDH1A1L3MBTL1FABP4CYP1A2FABP3
SCHEMBL5187548 0.82 FABP4 (0.63) ALDH1A1L3MBTL1FABP4CYP1A2FABP3
SCHEMBL11602683 0.81 FABP4 (0.61) ALDH1A1L3MBTL1FABP4CYP1A2FABP3
SCHEMBL11609447 0.80 FABP4 (0.59) FABP4CYP1A2FABP3MPOMEN1
SCHEMBL6359414 0.80 MAPT (0.59) ALDH1A1L3MBTL1CYP1A2MAPTMEN1
SCHEMBL6348734 0.78 AKR1C4 (0.58) ALDH1A1CYP1A2MAPTLMNAAKR1C4
SCHEMBL10601717 0.77 CYP1A2 (0.69) ALDH1A1L3MBTL1CYP1A2MAOAMAPT
SCHEMBL42481 0.77 MAPT (0.71) ALDH1A1L3MBTL1CYP1A2MAOAMAPT
SCHEMBL29438168 0.77 MAPT (0.71) ALDH1A1L3MBTL1CYP1A2MAOAMAPT

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
US-5401846-A Synthesis of vat dyes BASF AKTIENGESELLSCHAFT (DE) 1995-03-28 — — US claimed
US-5401846-A Synthesis of vat dyes BASF AKTIENGESELLSCHAFT (DE) 1995-03-28 — — US disclosed
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