SCHEMBL6623814

SCHEMBL6623814

CC(=O)c1cc2ccccc2c(Br)c1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.45
▸ HPGD P15428 5/20 0.45
▸ MAPT P10636 3/20 0.45
▸ MEN1 O00255 4/20 0.44
▸ KMT2A Q03164 4/20 0.44
▸ RXFP1 Q9HBX9 1/20 0.44
▸ KDM4E B2RXH2 7/20 0.42
▸ MAOB P27338 3/20 0.42
▸ CYP1A2 P05177 2/20 0.42
▸ CA12 O43570 1/20 0.42
▸ NT5E P21589 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ POLB P06746 4/20 0.42
▸ NSD2 O96028 1/20 0.42
▸ MCL1 Q07820 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.40
▸ HSD17B10 Q99714 2/20 0.39
▸ GLA P06280 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ NCEH1 Q6PIU2 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
SCHEMBL26622025 0.86 MEN1 (0.55) ALDH1A1HPGDMEN1KMT2ARXFP1
SCHEMBL6620676 0.81 MAPT (0.51) ALDH1A1HPGDMAPTMEN1KMT2A
SCHEMBL10001248 0.78 GPR35 (0.55) ALDH1A1HPGDMAPTMEN1KMT2A
SCHEMBL27716372 0.77 ALDH1A1 (0.46) ALDH1A1HPGDMAPTMEN1KMT2A
SCHEMBL31520424 0.77 POLB (0.52) ALDH1A1HPGDMAPTMEN1KMT2A
SCHEMBL2016154 0.77 POLB (0.52) ALDH1A1HPGDMAPTMEN1KMT2A
SCHEMBL26622032 0.76 KMT2A (0.37) ALDH1A1HPGDMAPTMEN1KMT2A
SCHEMBL8474949 0.76 ALDH1A1 (0.45) ALDH1A1HPGDMAPTMEN1KMT2A
SCHEMBL50624 0.76 ALDH1A1 (0.56) ALDH1A1HPGDMAPTMEN1KMT2A
SCHEMBL6618712 0.76 KDM4E (0.49) ALDH1A1HPGDMAPTMEN1KMT2A

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
EP-1474140-A1 2-OXAZOLAMINES AND THEIR USE AS 5-HT2B RECEPTOR ANTAGONISTS Pharmagene Laboratories Ltd (GB) 2004-11-10 — — EP disclosed
WO-2003068226-A1 2-OXAZOLAMINES AND THEIR USE AS 5-HT2B RECEPTOR ANTAGONISTS PHARMAGENE LABORATORIES LIMITED (GB) 2003-08-21 — — WO disclosed
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