SCHEMBL20831998

SCHEMBL20831998

O=c1c(Cl)c(N2CCc3nn(-c4ccccc4OC(F)(F)F)cc3C2)cnn1PI

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TRPC5 Q9UL62 2/20 0.36
▸ CA12 O43570 1/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ CCR3 P51677 1/20 0.31
▸ PDK2 Q15119 2/20 0.31
▸ HTR2C P28335 1/20 0.31
▸ HTR2B P41595 1/20 0.31
▸ HCAR1 Q9BXC0 1/20 0.31
▸ P2RX7 Q99572 1/20 0.30

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
SCHEMBL25704592 0.85 CA12 (0.40) TRPC5CA12CA1CA2CA9
SCHEMBL20831517 0.81 TRPC5 (0.56) TRPC5
SCHEMBL20831994 0.80 TRPC5 (0.33) TRPC5CA12CA1CA2CA9
SCHEMBL20831527 0.67 TRPC5 (0.54) TRPC5
SCHEMBL20831676 0.67 TRPC5 (0.36) TRPC5
SCHEMBL20831522 0.66 TRPC5 (0.56) TRPC5
SCHEMBL20831523 0.64 TIPARP (0.55) TRPC5
SCHEMBL20831537 0.64 CA12 (0.33) CA12CA1CA2CA9
SCHEMBL20831314 0.62 TIPARP (0.58) TRPC5
SCHEMBL20831621 0.62 RAB9A (0.33) CA12CA1CA2CA9

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
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