SCHEMBL25568922

SCHEMBL25568922

N#Cc1ccc2c(c1)C1c3cc(C#N)ccc3C2c2cc(-c3ccc(-c4cccc5oc6ccccc6c45)cc3)c(C#N)cc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 1/20 0.39
AR P10275 2/20 0.35
STS P08842 1/20 0.33
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
BACE1 P56817 1/20 0.32
PRKDC P78527 1/20 0.32
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
KMT2A Q03164 1/20 0.32
CSNK2A2 P19784 2/20 0.31
CSNK2B P67870 2/20 0.31
PIM1 P11309 1/20 0.31
PIM3 Q86V86 1/20 0.31
PIM2 Q9P1W9 1/20 0.31
ATM Q13315 1/20 0.31
ABCC9 O60706 1/20 0.31
RAB9A P51151 2/20 0.31
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL25568825 0.88 TNKS (0.40) TNKSARSTSALDH1A1KDM4E
SCHEMBL25568826 0.85 TNKS (0.38) TNKSARALDH1A1KDM4EPRKDC
SCHEMBL25567757 0.82 CYP1A2 (0.34) TNKSALDH1A1KDM4EMEN1KMT2A
SCHEMBL21691345 0.80 TNKS (0.42) TNKSARSTSALDH1A1KDM4E
SCHEMBL21691340 0.80 TNKS (0.42) TNKSARALDH1A1KDM4ECSNK2A2
SCHEMBL25567820 0.80 STS (0.39) STSADRA2C
SCHEMBL25567762 0.77 CA1 (0.33) STSALDH1A1L3MBTL1ADRA2C
SCHEMBL25567824 0.76 STS (0.40) STSLAP3
SCHEMBL25567624 0.76 ADRA2C (0.38) ARSTSADRA2C
SCHEMBL25567934 0.76 PLG (0.35) STSALDH1A1PRKDCLMNAADRA2C

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-2023094412-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2023-06-01 WO disclosed