SCHEMBL21075333

SCHEMBL21075333

FC(F)(F)c1cc(CN2CCCCC2)nc(C2CC2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 9/20 0.44
TACR1 P25103 7/20 0.44
SLC6A4 P31645 7/20 0.44
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 3/20 0.44
GAA P10253 3/20 0.43
KMT2A Q03164 2/20 0.42
HPGD P15428 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
CASP1 P29466 1/20 0.40
CASP5 P51878 1/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
TSHR P16473 1/20 0.39
CTSK P43235 1/20 0.38
GABRA2 P47869 1/20 0.38
GABRB2 P47870 1/20 0.38
SIGMAR1 Q99720 1/20 0.37
POLB P06746 1/20 0.36

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
SCHEMBL19083939 0.86 TACR1 (0.45) KCNH2TACR1SLC6A4KMT2AHPGD
SCHEMBL21075678 0.86 TACR1 (0.43) KCNH2TACR1SLC6A4SIGMAR1
SCHEMBL21075802 0.86 TACR1 (0.49) KCNH2TACR1SLC6A4KMT2AMEN1
SCHEMBL19075523 0.84 KCNH2 (0.44) KCNH2TACR1SLC6A4
SCHEMBL17061916 0.76 TACR1 (0.46) KCNH2TACR1SLC6A4ALDH1A1KDM4E
SCHEMBL16770692 0.76 TACR1 (0.46) KCNH2TACR1SLC6A4ALDH1A1KDM4E
SCHEMBL4023227 0.75 KCNH2 (0.45) KCNH2TACR1SLC6A4ALDH1A1KDM4E
SCHEMBL4021955 0.75 TACR1 (0.45) KCNH2TACR1SLC6A4ALDH1A1KDM4E
SCHEMBL17069228 0.72 TACR1 (0.44) KCNH2TACR1SLC6A4GABRA2GABRB2
SCHEMBL561532 0.71 GABRA2 (0.46) KCNH2TACR1SLC6A4ALDH1A1KDM4E

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
EP-3166939-B1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH INC (US) 2019-06-05 EP disclosed