SCHEMBL11545425

SCHEMBL11545425

Cc1ccc(-c2c(Br)oc3ccccc23)cc1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 2/20 0.39
MAOB P27338 2/20 0.39
PARP1 P09874 1/20 0.39
TNKS2 Q9H2K2 1/20 0.39
PARP2 Q9UGN5 1/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
PTGS2 P35354 2/20 0.38
NQO1 P15559 1/20 0.38
PLA2G2A P14555 1/20 0.36
PLA2G4A P47712 1/20 0.36
MAOA P21397 1/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
LMNA P02545 4/20 0.35
ALDH1A1 P00352 3/20 0.35
MAPT P10636 1/20 0.35
PPARG P37231 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL11663639 0.77 CA1 (0.49) TNKSPARP1TNKS2L3MBTL1PLA2G2A
SCHEMBL11546456 0.75 LMNA (0.47) TNKSMAOBPARP1TNKS2PARP2
SCHEMBL21142520 0.75 MAPT (0.50) TNKSMAOBPARP1TNKS2PARP2
SCHEMBL27387918 0.75 AHR (0.50) TNKSMAOBPARP1TNKS2PARP2
SCHEMBL7876432 0.74 MAPT (0.52) TNKSMAOBPTGS2CA1CA2
SCHEMBL7503917 0.73 PTPN1 (0.57) TNKSMAOBMAOAALDH1A1TDP1
SCHEMBL25159218 0.73 CHRM2 (0.42) TNKSMAOBPARP1TNKS2PARP2
SCHEMBL7499875 0.73 MAOB (0.56) TNKSMAOBL3MBTL1MAOACA1
SCHEMBL10761266 0.72 PTPN1 (0.42) TNKSPTGS2PLA2G2APLA2G4ACA1
SCHEMBL11498488 0.72 GABRP (0.38) TNKSMAOBPARP1TNKS2L3MBTL1

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-4141990-A BACTERICIDES, FUNGICIDES RIKER LABORATORIES, INC. (US) 1979-02-27 US disclosed