SCHEMBL19207348

SCHEMBL19207348

N#Cc1ccc2c(c1)C1c3ccc(C#N)cc3C2c2cc(C#N)ccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA1 P02708 1/20 0.50
CHRNG P07510 1/20 0.50
CHRNB1 P11230 1/20 0.50
CHRNB2 P17787 1/20 0.50
CHRNB4 P30926 1/20 0.50
CHRNA3 P32297 1/20 0.50
CHRNA4 P43681 1/20 0.50
CHRND Q07001 1/20 0.50
LOXL2 Q9Y4K0 1/20 0.44
NOS3 P29474 3/20 0.42
NOS1 P29475 3/20 0.42
NOS2 P35228 1/20 0.42
ENPP2 Q13822 1/20 0.39
CYP2A6 P11509 2/20 0.39
ALDH1A1 P00352 1/20 0.39
CA12 O43570 1/20 0.39
CA2 P00918 1/20 0.39
CA3 P07451 1/20 0.39
CA6 P23280 1/20 0.39
CA9 Q16790 1/20 0.39

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
SCHEMBL24791025 1.00 CHRNA1 (0.50) CHRNA1CHRNGCHRNB1CHRNB2CHRNB4
SCHEMBL25566853 0.93 CHRNA1 (0.46) CHRNA1CHRNGCHRNB1CHRNB2CHRNB4
SCHEMBL25566982 0.83 CHRNA1 (0.39) CHRNA1CHRNGCHRNB1CHRNB2CHRNB4
SCHEMBL25567063 0.83 CHRNA1 (0.39) CHRNA1CHRNGCHRNB1CHRNB2CHRNB4
SCHEMBL13037664 0.83 CHRNA1 (0.39) CHRNA1CHRNGCHRNB1CHRNB2CHRNB4
SCHEMBL25566977 0.79 CHRNA1 (0.36) CHRNA1CHRNGCHRNB1CHRNB2CHRNB4
SCHEMBL10214252 0.75 CHRNA1 (0.50) CHRNA1CHRNGCHRNB1CHRNB2CHRNB4
SCHEMBL16905570 0.75 CHRNA1 (0.65) CHRNA1CHRNGCHRNB1CHRNB2CHRNB4
SCHEMBL11526900 0.72 CHRNA1 (0.51) CHRNA1CHRNGCHRNB1CHRNB2CHRNB4
SCHEMBL28971640 0.70 TSHR (0.63) LOXL2ENPP2CYP2A6ALDH1A1CA12

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-3411080-A2 COMPOUNDS AND METHODS OF TREATING RNA-MEDIATED DISEASES Arrakis Therapeutics, Inc. (US) 2018-12-12 EP disclosed
WO-2017136450-A2 COMPOUNDS AND METHODS OF TREATING RNA-MEDIATED DISEASES ARRAKIS THERAPEUTICS, INC. (US) 2017-08-10 WO disclosed