SCHEMBL13425311

SCHEMBL13425311

Cc1nn(C(=O)OC(C)(C)C)c2cc(OCCN)ccc12

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 2/20 0.39
NR1H2 P55055 1/20 0.38
HASPIN Q8TF76 1/20 0.36
LSS P48449 1/20 0.36
GPR119 Q8TDV5 3/20 0.36
DYRK1A Q13627 2/20 0.36
MAP2K4 P45985 1/20 0.36
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
PLA2G2A P14555 1/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
FGFR1 P11362 1/20 0.33
BRD4 O60885 1/20 0.33
MCL1 Q07820 1/20 0.33

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
SCHEMBL13425457 0.86 MAP2K4 (0.40) NR1H2HASPINGPR119MAP2K4PSEN1
SCHEMBL13794562 0.83 DYRK1A (0.44) DYRK1AMAP2K4BRD4MCL1
SCHEMBL177544 0.81 KMT2A (0.49)
SCHEMBL177320 0.81 MAOB (0.43) SLC22A12
SCHEMBL426350 0.79 NR1H2 (0.42) SLC22A12NR1H2MAP2K4BRD4
SCHEMBL7605898 0.79 ELANE (0.44) SLC22A12NR1H2GPR119MAP2K4BRD4
SCHEMBL176840 0.78 ESR2 (0.41) SLC22A12NR1H2MAP2K4
SCHEMBL28266630 0.78 LSS (0.37) NR1H2LSSGPR119DYRK1AMAP2K4
SCHEMBL8212259 0.77 MAP2K4 (0.40) SLC22A12NR1H2MAP2K4BRD4
SCHEMBL11232 0.77 PDGFRA (0.47) SLC22A12MAP2K4

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-2010041569-A1 INDAZOLE COMPOUND 旭化成ファーマ株式会社 (JP) 2010-04-15 WO disclosed