SCHEMBL28127752

SCHEMBL28127752

Fc1cc(CN2CCC2)cc(-c2ccc3c(cnn3CC3COC3)c2)c1F

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
WNT1 P04628 2/20 0.38
DYRK1A Q13627 2/20 0.38
MCHR1 Q99705 7/20 0.35
CHKA P35790 1/20 0.34
DRD4 P21917 2/20 0.34
SIGMAR1 Q99720 2/20 0.34
TMEM97 Q5BJF2 1/20 0.34
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
BRD4 O60885 1/20 0.33
CREBBP Q92793 1/20 0.33
PDE2A O00408 2/20 0.33
EGFR P00533 1/20 0.32
ERBB2 P04626 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL28952969 0.86 WNT1 (0.40) WNT1DYRK1AMCHR1CHKADRD4
SCHEMBL28127735 0.76 DYRK1A (0.49) WNT1DYRK1ABRD4CREBBP
SCHEMBL28127407 0.71 HRH3 (0.39) WNT1DYRK1AMCHR1
SCHEMBL28127729 0.70 NR3C1 (0.39) WNT1DYRK1AMCHR1ALDH1A1HTT
SCHEMBL28127736 0.70 NR3C1 (0.39) WNT1DYRK1AMCHR1ALDH1A1HTT
SCHEMBL28127382 0.69 NR3C1 (0.40) WNT1DYRK1A
SCHEMBL28127399 0.69 LRRK2 (0.51)
SCHEMBL28127716 0.69 LRRK2 (0.51)
SCHEMBL28839832 0.69 NR3C1 (0.40) WNT1DYRK1AMCHR1ALDH1A1HTT
SCHEMBL22926449 0.68 BRD4 (0.36) MCHR1HDAC1HDAC2BRD4ALDH1A1

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-106535890-A 5-substituted indazole-3-carboxamides and preparation and use thereof 萨穆梅德有限公司 2017-03-22 CN claimed