SCHEMBL6190386

SCHEMBL6190386

O=C(Nc1nc2ccccc2s1)C(F)(F)F

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.65
DYRK1A Q13627 1/20 0.65
NPC1 O15118 8/20 0.61
RAB9A P51151 8/20 0.61
SMN1; SMN2 Q16637 7/20 0.61
MEN1 O00255 4/20 0.61
KMT2A Q03164 4/20 0.61
NFKB1 P19838 3/20 0.60
NFKB2 Q00653 3/20 0.60
RELA Q04206 3/20 0.60
GAA P10253 2/20 0.60
MAPT P10636 2/20 0.60
KDM4E B2RXH2 4/20 0.59
HTT P42858 1/20 0.59
CASP3 P42574 3/20 0.58
SENP8 Q96LD8 3/20 0.58
SENP7 Q9BQF6 3/20 0.58
SENP6 Q9GZR1 3/20 0.58
CSNK1D P48730 2/20 0.57
POLB P06746 1/20 0.57

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
SCHEMBL11745024 0.85 GAA (0.67) ADORA1DYRK1ANPC1RAB9ASMN1; SMN2
SCHEMBL9891526 0.84 ADORA1 (0.69) ADORA1DYRK1ANPC1RAB9ASMN1; SMN2
SCHEMBL32674581 0.82 NPC1 (0.84) ADORA1DYRK1ANPC1RAB9ASMN1; SMN2
SCHEMBL27634788 0.82 NPC1 (0.84) ADORA1DYRK1ANPC1RAB9ASMN1; SMN2
SCHEMBL29483685 0.81 CSNK1D (0.64) ADORA1DYRK1ANPC1RAB9ASMN1; SMN2
SCHEMBL28521971 0.81 CSNK1D (0.64) ADORA1DYRK1ANPC1RAB9ASMN1; SMN2
SCHEMBL6187983 0.81 DYRK1A (0.70) ADORA1DYRK1ANPC1RAB9ASMN1; SMN2
SCHEMBL5211562 0.80 ADORA1 (0.73) ADORA1DYRK1ANPC1RAB9ASMN1; SMN2
SCHEMBL1580942 0.80 NPC1 (0.73) ADORA1DYRK1ANPC1RAB9ASMN1; SMN2
SCHEMBL6186511 0.80 DYRK1A (0.70) DYRK1ANPC1RAB9ASMN1; SMN2MEN1

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-1043319-B1 NOVEL ALKYLAMINO DERIVATIVES MITSUBISHI CHEM CORP (JP) 2005-03-16 EP disclosed
EP-1043319-A1 NOVEL ALKYLAMINO DERIVATIVES MITSUBISHI CHEMICAL CORPORATION (JP) 2000-10-11 EP disclosed