SCHEMBL10965331

SCHEMBL10965331

CCC(=O)c1ccc(NC(C)=O)cc1Br

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.69
RAB9A P51151 3/20 0.53
NR4A1 P22736 1/20 0.53
TDP1 Q9NUW8 4/20 0.48
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 2/20 0.44
GAA P10253 1/20 0.44
KMT2A Q03164 4/20 0.43
F2R P25116 1/20 0.43
RORC P51449 1/20 0.43
HTT P42858 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ALDH1A1 P00352 3/20 0.42
MAPT P10636 3/20 0.42
MEN1 O00255 3/20 0.42
KDM4E B2RXH2 1/20 0.42
GLA P06280 1/20 0.42
TNNI3 P19429 1/20 0.42
TNNT2 P45379 1/20 0.42
TNNC1 P63316 1/20 0.42

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
SCHEMBL7765889 0.85 POLB (0.76) POLBRAB9ANR4A1TDP1SMN1; SMN2
SCHEMBL11235452 0.82 POLB (1.00) POLBRAB9ANR4A1TDP1SMN1; SMN2
SCHEMBL9821067 0.81 POLB (0.69) POLBRAB9ANR4A1TDP1SMN1; SMN2
SCHEMBL9114491 0.79 POLB (0.77) POLBRAB9ANR4A1TDP1SMN1; SMN2
SCHEMBL27996290 0.78 POLB (0.43) POLBTDP1SMN1; SMN2GAAKMT2A
SCHEMBL7659979 0.77 HTT (0.54) RAB9ATDP1SMN1; SMN2NPC1KMT2A
SCHEMBL6174178 0.75 HSP90AB1 (0.48) POLBRAB9ASMN1; SMN2GAAKMT2A
SCHEMBL847574 0.75 POLB (0.49) POLBRAB9ANR4A1TDP1SMN1; SMN2
SCHEMBL22614748 0.74 HSP90AB1 (0.47) POLBRAB9ATDP1SMN1; SMN2NPC1
SCHEMBL27306343 0.74 HSP90AB1 (0.67) POLBRAB9ANPC1GAAKMT2A

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-0052442-B1 HETEROCYCLIC COMPOUNDS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1985-09-11 EP disclosed
EP-0052442-A1 Heterocyclic compounds IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1982-05-26 EP disclosed