SCHEMBL20936840

SCHEMBL20936840

COc1ccc(C(=N)/C=C\C(=N)N)cc1F

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.51
MAPK1 P28482 1/20 0.51
HTT P42858 1/20 0.51
RAB9A P51151 1/20 0.51
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43
AR P10275 1/20 0.40
PRSS1 P07477 4/20 0.40
TUBB1 Q9H4B7 4/20 0.40
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
MAOB P27338 1/20 0.40
TDP1 Q9NUW8 1/20 0.38
KDM1A O60341 2/20 0.38

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
SCHEMBL429692 0.80 LMNA (0.61) LMNAMAPK1HTTRAB9APDE4A
Hydrochloric Acid SCHEMBL9741360 0.79 PRSS1 (0.59) LMNAMAPK1HTTRAB9APRSS1
Hydrochloric Acid SCHEMBL9815151 0.78 LMNA (0.57) LMNAMAPK1HTTRAB9APDE4A
SCHEMBL30278904 0.74 HTT (0.71) LMNAMAPK1HTTRAB9AAR
SCHEMBL3668139 0.74 HTT (0.61) LMNAMAPK1HTTRAB9APDE4A
SCHEMBL1477740 0.74 HTT (0.71) LMNAMAPK1HTTRAB9AAR
SCHEMBL12324305 0.73 HTT (0.60) LMNAMAPK1HTTRAB9APDE4A
SCHEMBL2326653 0.71 HTT (0.57) LMNAMAPK1HTTRAB9APDE4A
SCHEMBL2326651 0.71 RECQL (0.68) LMNAMAPK1HTTRAB9APDE4A
SCHEMBL2326648 0.71 RECQL (0.68) LMNAMAPK1HTTRAB9APDE4A

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-2019079783-A1 ANTAGONISTS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 VANDERBILT UNIVERSITY (US) 2019-04-25 WO disclosed