SCHEMBL10338113

SCHEMBL10338113

O=S(=O)(Nc1nc2ccc(OC(F)(F)F)cc2s1)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.56
▸ KMT2A Q03164 5/20 0.56
▸ DYRK1A Q13627 1/20 0.56
▸ HPGD P15428 4/20 0.53
▸ MAPK1 P28482 3/20 0.53
▸ PTPN1 P18031 2/20 0.53
▸ RORC P51449 1/20 0.52
▸ ALDH1A1 P00352 3/20 0.51
▸ MAPT P10636 1/20 0.51
▸ RECQL P46063 1/20 0.51
▸ CA12 O43570 1/20 0.51
▸ CA1 P00915 1/20 0.51
▸ CA2 P00918 1/20 0.51
▸ CA7 P43166 1/20 0.51
▸ PKM P14618 2/20 0.50
▸ GAA P10253 2/20 0.50
▸ ACP1 P24666 1/20 0.50
▸ NPC1 O15118 2/20 0.49
▸ RAB9A P51151 2/20 0.49
▸ GMNN O75496 1/20 0.49

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
SCHEMBL16553986 0.89 MEN1 (0.71) MEN1KMT2ADYRK1AHPGDMAPK1
SCHEMBL16554007 0.80 ALDH1A1 (0.65) MEN1KMT2AMAPK1ALDH1A1USP2
SCHEMBL9776980 0.77 DYRK1A (0.70) MEN1KMT2ADYRK1AMAPK1ALDH1A1
SCHEMBL2116986 0.75 NPC1 (0.68) MEN1KMT2ADYRK1AMAPK1ALDH1A1
SCHEMBL8430889 0.74 DYRK1A (0.70) MEN1KMT2ADYRK1AHPGDMAPK1
SCHEMBL23389353 0.74 WDR5 (0.67) DYRK1AMAPK1CA12CA1CA2
SCHEMBL16562254 0.74 MEN1 (0.76) MEN1KMT2ADYRK1AHPGDMAPK1
SCHEMBL18154477 0.73 DYRK1A (0.81) MEN1KMT2ADYRK1AMAPK1ALDH1A1
SCHEMBL211725 0.73 DYRK1A (0.65) MEN1KMT2ADYRK1AMAPK1MAPT
SCHEMBL16562130 0.73 KMT2A (0.75) MEN1KMT2ADYRK1AHPGDMAPK1

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
JP-2001483-A — — None — — JP disclosed
JP-H021483-A AGRICULTURAL FUNGICIDE NIPPON TOKUSHU NOYAKU SEIZO KK 1990-01-05 — — JP disclosed
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