SCHEMBL27742971

SCHEMBL27742971

CCCCc1cc(N)n(-c2cccc(S(=O)(=O)C(F)(F)F)c2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 1/20 0.43
▸ DDX3X O00571 3/20 0.41
▸ LMNA P02545 2/20 0.39
▸ CA1 P00915 3/20 0.39
▸ CA2 P00918 3/20 0.39
▸ CA9 Q16790 3/20 0.39
▸ CNR1 P21554 1/20 0.39
▸ CNR2 P34972 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ F2 P00734 2/20 0.38
▸ F10 P00742 2/20 0.38
▸ PRSS1 P07477 2/20 0.38
▸ PRSS2 P07478 2/20 0.38
▸ PRSS3 P35030 2/20 0.38
▸ PDPK1 O15530 2/20 0.37
▸ HRH4 Q9H3N8 1/20 0.35
▸ TLR7 Q9NYK1 2/20 0.34
▸ HTT P42858 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ POLB P06746 1/20 0.34

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
SCHEMBL27742968 0.81 ALDH1A1 (0.41) ALOX5DDX3XLMNACA1CA2
SCHEMBL27854817 0.80 CTSK (0.47) ALOX5CNR1CNR2HTTSMN1; SMN2
SCHEMBL4598386 0.79 GRN (0.43) LMNACA1CA2CA9ALDH1A1
SCHEMBL27854790 0.78 HTT (0.47) ALOX5DDX3XCNR1CNR2ALDH1A1
SCHEMBL27836801 0.78 CNR2 (0.45) ALOX5LMNACNR1CNR2ALDH1A1
Hydrochloric Acid SCHEMBL3177847 0.78 GRN (0.42) LMNACA1CA2CA9ALDH1A1
SCHEMBL27742966 0.76 CNR1 (0.61) ALOX5LMNACNR1CNR2ALDH1A1
SCHEMBL4054662 0.76 CNR1 (0.45) ALOX5CNR1CNR2ALDH1A1F2
SCHEMBL27938671 0.75 CNR1 (0.44) LMNACNR1CNR2ALDH1A1TLR7
SCHEMBL27639476 0.74 CNR2 (0.43) ALOX5LMNACNR1CNR2ALDH1A1

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
CN-101316841-A Arylmethylene urea derivative and use thereof TORAY INDUSTRIES (JP) 2008-12-03 — — CN disclosed
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