SCHEMBL20831960

SCHEMBL20831960

O=C1CN(c2cnn(PI)c(=O)c2Cl)CCN1Cc1ccccc1Cl

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TRPC5 Q9UL62 17/20 0.61
▸ KCNH2 Q12809 1/20 0.48
▸ TRPC4 Q9UBN4 1/20 0.48
▸ RAB9A P51151 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ BLM P54132 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ GPR35 Q9HC97 1/20 0.41
▸ P2RX7 Q99572 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ PLA2G1B P04054 1/20 0.38
▸ ATG4B Q9Y4P1 1/20 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
SCHEMBL25701752 0.81 TRPC5 (0.60) TRPC5KCNH2TRPC4P2RX7
SCHEMBL20831543 0.77 TRPC5 (0.52) TRPC5KCNH2TRPC4
SCHEMBL20831375 0.76 TRPC5 (1.00) TRPC5KCNH2TRPC4ALDH1A1
SCHEMBL20817975 0.76 TRPC5 (0.55) TRPC5KCNH2TRPC4RAB9AMEN1
SCHEMBL25702140 0.73 TRPC5 (0.42) TRPC5MEN1KMT2ASMN1; SMN2P2RX7
SCHEMBL25698409 0.71 CA12 (0.41) TRPC5RAB9AKDM4EALDH1A1PLA2G1B
SCHEMBL25708494 0.70 TRPC5 (0.33) TRPC5RAB9AMEN1POLBBLM
SCHEMBL25701933 0.70 ACHE (0.41) TRPC5KCNH2TRPC4RAB9AKMT2A
SCHEMBL20831621 0.69 RAB9A (0.33) RAB9AMEN1POLBKMT2ASMN1; SMN2
SCHEMBL25703193 0.68 TRPC5 (0.51) TRPC5KCNH2TRPC4P2RX7ALDH1A1

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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