SCHEMBL9058799

SCHEMBL9058799

C[C@H](COc1ccc2ncc([N+](=O)[O-])n2n1)NC(=S)C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 8/20 0.38
DYRK3 O43781 2/20 0.33
CCNA2 P20248 2/20 0.33
CDK2 P24941 2/20 0.33
DYRK1A Q13627 2/20 0.33
DYRK2 Q92630 2/20 0.33
DYRK1B Q9Y463 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
PIM1 P11309 3/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MAPK1 P28482 1/20 0.32
ATM Q13315 1/20 0.32
CCNT1 O60563 1/20 0.31
CDK9 P50750 1/20 0.31
CDK5 Q00535 1/20 0.31
CDK5R1 Q15078 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
ACACB O00763 1/20 0.30

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
SCHEMBL9058809 0.89 MKNK1 (0.39) MKNK1DYRK3CCNA2CDK2DYRK1A
SCHEMBL9058715 0.89 MKNK1 (0.39) MKNK1DYRK3CCNA2CDK2DYRK1A
SCHEMBL9058315 0.84 MKNK1 (0.41) MKNK1CYP1A2CYP2C9MAPK1ATM
SCHEMBL9058800 0.83 DYRK3 (0.33) MKNK1DYRK3CCNA2CDK2DYRK1A
SCHEMBL9058563 0.78 MKNK1 (0.35) MKNK1DYRK3CCNA2CDK2DYRK1A
SCHEMBL9058720 0.78 MKNK1 (0.35) MKNK1DYRK3CCNA2CDK2DYRK1A
SCHEMBL9058711 0.77 MKNK1 (0.34) MKNK1DYRK3CCNA2CDK2DYRK1A
SCHEMBL9058560 0.77 MKNK1 (0.34) MKNK1DYRK3CCNA2CDK2DYRK1A
SCHEMBL9058717 0.74 DYRK3 (0.33) MKNK1DYRK3CCNA2CDK2DYRK1A
SCHEMBL9059217 0.73 ALDH1A1 (0.35) MKNK1CYP1A2CYP2C9SMN1; SMN2MAPK1

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
WO-1996016656-A1 CONDENSED IMIDAZOLE DERIVATIVES, THEIR PREPARATION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-06-06 WO disclosed