SCHEMBL20832012

SCHEMBL20832012

Cc1cc(F)ccc1CN1CCN(c2cc(=O)[nH]nc2Br)CC1

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPC5 Q9UL62 4/20 0.66
P2RX7 Q99572 1/20 0.41
PARP1 P09874 5/20 0.38
KCNH2 Q12809 1/20 0.38
ALDH1A1 P00352 2/20 0.37
GAA P10253 2/20 0.37
MPO P05164 1/20 0.37
MAPK1 P28482 1/20 0.37
POLB P06746 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL20831241 0.89 TRPC5 (0.62) TRPC5P2RX7PARP1KCNH2ALDH1A1
SCHEMBL25686925 0.88 TRPC5 (0.61) TRPC5P2RX7PARP1KCNH2ALDH1A1
SCHEMBL20831657 0.85 TRPC5 (0.58) TRPC5P2RX7ALDH1A1GAAMAPK1
SCHEMBL20831238 0.83 TRPC5 (0.54) TRPC5P2RX7PARP1KCNH2ALDH1A1
SCHEMBL20831243 0.83 TRPC5 (0.56) TRPC5P2RX7ALDH1A1MAPK1NPSR1
SCHEMBL20831664 0.83 TRPC5 (0.57) TRPC5P2RX7PARP1ALDH1A1GAA
SCHEMBL20818676 0.81 TRPC5 (0.60) TRPC5P2RX7ALDH1A1GAAPOLB
SCHEMBL20818295 0.80 TRPC5 (0.59) TRPC5P2RX7ALDH1A1GAAMAPK1
SCHEMBL20831808 0.80 TRPC5 (0.65) TRPC5P2RX7PARP1KCNH2ALDH1A1
SCHEMBL20818635 0.79 TRPC5 (1.00) TRPC5P2RX7ALDH1A1MAPK1

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-2019055966-A2 PYRIDAZINONES AND METHODS OF USE THEREOF GOLDFINCH BIO, INC. (US) 2019-03-21 WO disclosed