SCHEMBL5070146

SCHEMBL5070146

N#Cc1ccc(-c2ccc(C#N)c(N)c2)cc1N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
CYP11B2 P19099 7/20 0.44
CYP11B1 P15538 6/20 0.44
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
USP2 O75604 1/20 0.41
NSD2 O96028 1/20 0.40
AR P10275 4/20 0.40
PIK3CD O00329 1/20 0.40
TRPV4 Q9HBA0 1/20 0.40
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CYP3A4 P08684 2/20 0.37
ALOX15 P16050 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
SCHEMBL5318551 0.89 ALDH1A1 (0.52) MEN1KMT2ATDP1CYP11B2CYP11B1
SCHEMBL29268863 0.88 AR (0.57) MEN1KMT2ATDP1CYP11B2CYP11B1
SCHEMBL12733363 0.88 CYP11B2 (0.54) MEN1KMT2ACYP11B2CYP11B1KDM4E
SCHEMBL6781899 0.84 ADORA2A (0.49) CYP11B2CYP11B1KDM4EALDH1A1AR
SCHEMBL6780932 0.83 KIF11 (0.55) MEN1KMT2ACYP11B2CYP11B1KDM4E
SCHEMBL6771411 0.83 KCNH2 (0.62) CYP11B2CYP11B1ALDH1A1MAPT
SCHEMBL21899537 0.83 CYP11B2 (0.36) MEN1KMT2ATDP1CYP11B2CYP11B1
SCHEMBL6775373 0.83 ADORA1 (0.40) MEN1KMT2ATDP1CYP11B2CYP11B1
SCHEMBL6775695 0.82 MYC (0.55) CYP11B2
SCHEMBL6773157 0.80 CYP11B2 (0.56) MEN1TDP1CYP11B2CYP11B1KDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080185700-A1 Adhesive Film and Method for Manufacturing Semiconductor Device Using Same MITSUI CHEMICALS, INC. (JP) 2008-08-07 US disclosed
US-4208343-A STARTING MATERIALS FOR CYANO-IMIDE POLYMERS WESTINGHOUSE ELECTRIC CORP. (US) 1980-06-17 US disclosed