SCHEMBL30567652

SCHEMBL30567652

Cn1nc(-c2cncc(C(F)(F)F)c2)cc1N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 8/20 0.39
CYP11B1 P15538 3/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
BACE1 P56817 2/20 0.38
CTSD P07339 1/20 0.38
TNF P01375 1/20 0.38
PARP10 Q53GL7 1/20 0.37
PARP11 Q9NR21 1/20 0.37
MAP3K12 Q12852 1/20 0.37
IDH1 O75874 1/20 0.36
TRPV3 Q8NET8 1/20 0.36
CHRNA7 P36544 2/20 0.35
RPS6KB1 P23443 1/20 0.34
AKT1 P31749 1/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA4 P43681 1/20 0.34
PRMT5 O14744 1/20 0.34

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
SCHEMBL25408573 1.00 CYP11B2 (0.39) CYP11B2CYP11B1KDM4EALDH1A1BACE1
SCHEMBL26847559 0.84 PARP10 (0.40) CYP11B2CYP11B1KDM4EALDH1A1BACE1
SCHEMBL4681659 0.79 NPY5R (0.46) KDM4EALDH1A1
SCHEMBL22633138 0.78 TLR8 (0.51) KDM4EALDH1A1
SCHEMBL25407826 0.77 CYP11B2 (0.44) CYP11B2CYP11B1KDM4EALDH1A1BACE1
SCHEMBL30567665 0.77 CYP11B2 (0.44) CYP11B2CYP11B1KDM4EALDH1A1BACE1
SCHEMBL27762791 0.76 MKNK1 (0.49) CYP11B2CYP11B1KDM4EALDH1A1TNF
SCHEMBL21744244 0.73 CYP11B2 (0.56) CYP11B2CYP11B1PARP10PARP11IDH1
SCHEMBL19406772 0.73 KDM1A (0.44) CYP11B2CYP11B1BACE1CTSDTNF
SCHEMBL22925944 0.72 PDE2A (0.41) KDM4EALDH1A1BACE1TRPV3

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-116615425-A Compounds and compositions as Sppl2a inhibitors 诺华股份有限公司 2023-08-18 CN disclosed