SCHEMBL10666307

SCHEMBL10666307

COC(=O)/C=C1\S/C(=N/c2ccc(Br)cc2)N(C)C1=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 6/20 0.58
▸ MAPT P10636 6/20 0.47
▸ ALDH1A1 P00352 3/20 0.47
▸ RAB9A P51151 1/20 0.46
▸ TDP1 Q9NUW8 3/20 0.45
▸ POLB P06746 2/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ GAA P10253 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ PKM P14618 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ MGAM O43451 2/20 0.44
▸ CA12 O43570 2/20 0.44
▸ CA1 P00915 2/20 0.44
▸ CA2 P00918 2/20 0.44
▸ CA9 Q16790 2/20 0.44
▸ LMNA P02545 1/20 0.43

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
SCHEMBL10666312 1.00 AURKA (0.58) AURKAMAPTALDH1A1RAB9ATDP1
SCHEMBL12297882 0.74 FAAH (0.54) MAPTALDH1A1RAB9AMEN1KMT2A
SCHEMBL14883357 0.69 ALDH1A1 (0.69) AURKAMAPTALDH1A1TDP1POLB
SCHEMBL14426551 0.69 PSMB8 (0.84) AURKAMAPTALDH1A1TDP1POLB
SCHEMBL10669210 0.68 PPARG (0.50) AURKAMAPTALDH1A1TDP1POLB
SCHEMBL12717766 0.68 PTPN1 (0.60) AURKAMAPTALDH1A1TDP1POLB
SCHEMBL28242826 0.63 KMT2A (0.41) MAPTRAB9ATDP1MEN1KMT2A
SCHEMBL12177564 0.61 PSMB8 (0.67) MAPTALDH1A1RAB9ATDP1POLB
SCHEMBL12177712 0.61 AURKA (0.75) AURKATDP1SMN1; SMN2HPGDMGAM
SCHEMBL10668048 0.60 FAAH (0.56) MAPTALDH1A1TDP1POLBMEN1

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-4775677-A ANTIALLERGNES, ANTIINFLAMMATORY AGENTS, CARDIOVASCULAR DISORDERS WARNER-LAMBERT COMPANY (US) 1988-10-04 — — US disclosed
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