SCHEMBL4775009

SCHEMBL4775009

O=C1NC(=O)C(Cc2cccc3c2c2ccccc2n3Cc2ccc(Br)cc2)S1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 8/20 0.45
PPARA Q07869 5/20 0.45
PPARG P37231 6/20 0.41
MAPT P10636 1/20 0.39
NPM1 P06748 1/20 0.39
ALDH1A1 P00352 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HDAC6 Q9UBN7 2/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC10 Q969S8 1/20 0.37
P2RX4 Q99571 2/20 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
Hydrochloric Acid SCHEMBL5322809 0.89 MAPT (0.52) FFAR1PPARAPPARGMAPTALDH1A1
Hydrochloric Acid SCHEMBL4777795 0.82 P2RX4 (0.48) FFAR1PPARAPPARGMAPTALDH1A1
SCHEMBL97864 0.75 PPARG (0.49) FFAR1PPARAPPARGMAPTALDH1A1
SCHEMBL4836238 0.75 FFAR1 (0.41) FFAR1PPARAPPARGMAPT
SCHEMBL97465 0.74 FFAR1 (0.46) FFAR1PPARAPPARGMAPTALDH1A1
SCHEMBL4773991 0.72 PSEN1 (0.41) FFAR1PPARGMAPTALDH1A1
SCHEMBL9570635 0.72 MAPT (0.53) FFAR1PPARAPPARGMAPTALDH1A1
SCHEMBL4778666 0.71 FFAR1 (0.48) FFAR1PPARAPPARGMAPTALDH1A1
SCHEMBL13846789 0.71 ALDH1A1 (0.41) FFAR1PPARAPPARGMAPTALDH1A1
SCHEMBL8685830 0.71 PPARG (0.47) FFAR1PPARAPPARGMAPTALDH1A1

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
WO-2007119600-A9 CARBAZOLE COMPOUND OTSUKA PHARMA CO LTD (JP) 2008-05-02 WO disclosed
WO-2007119600-A1 CARBAZOLE COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-10-25 WO disclosed