SCHEMBL29028704

SCHEMBL29028704

Cc1ccc2nn(-c3ccccc3)c(CC#N)c2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
MAPT P10636 4/20 0.41
LMNA P02545 2/20 0.41
PDE10A Q9Y233 1/20 0.39
MPO P05164 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA3 P34903 1/20 0.38
GABRA2 P47869 1/20 0.38
USP7 Q93009 1/20 0.36
KDM4E B2RXH2 3/20 0.36
GAA P10253 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
ALDH1A1 P00352 2/20 0.36
NPC1 O15118 1/20 0.36
STAT1 P42224 1/20 0.36
RAB9A P51151 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
SCHEMBL29028803 0.84 ALDH1A1 (0.41) MEN1KMT2AMAPTLMNAPDE10A
SCHEMBL29028787 0.83 MAPT (0.46) MEN1KMT2AMAPTLMNAMPO
SCHEMBL29028732 0.83 MPO (0.45) MEN1KMT2AMAPTLMNAPDE10A
SCHEMBL29028700 0.83 MPO (0.47) MEN1KMT2AMAPTLMNAMPO
SCHEMBL29028782 0.83 LMNA (0.51) KMT2AMAPTLMNAMPONPSR1
SCHEMBL29028690 0.76 MAPT (0.39) MAPTPDE10AKDM4EGAARXFP1
SCHEMBL29028696 0.76 CSNK2A1 (0.40) KMT2AMAPTPDE10AMPOKDM4E
SCHEMBL29028699 0.76 MEN1 (0.39) MEN1KMT2AMAPTMPOKDM4E
SCHEMBL29028776 0.75 MPO (0.42) LMNAPDE10AMPOGABRA1GABRG2
SCHEMBL29028717 0.75 NPC1 (0.47) MEN1KMT2AMAPTLMNAMPO

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
CN-116332851-A Cyanomethyl phenyl indazole compound and preparation method thereof 河南中医药大学 2023-06-27 CN disclosed