SCHEMBL23399425

SCHEMBL23399425

CCCCc1c(O)c(-c2ccccc2)nn1CC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
CYP1A2 P05177 2/20 0.46
MAPT P10636 2/20 0.46
CRHBP P24387 3/20 0.45
CRHR2 Q13324 3/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
MAPK1 P28482 2/20 0.43
CASP1 P29466 2/20 0.43
CASP7 P55210 2/20 0.43
KDM4E B2RXH2 1/20 0.43
USP2 O75604 1/20 0.43
TNNI3 P19429 1/20 0.43
TNNT2 P45379 1/20 0.43
TNNC1 P63316 1/20 0.43
ATM Q13315 1/20 0.43
KEAP1 Q14145 1/20 0.43
NFE2L2 Q16236 1/20 0.43
TLR9 Q9NR96 1/20 0.43

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
SCHEMBL23403441 0.91 MEN1 (0.48) MEN1KMT2ACYP1A2MAPTCRHBP
SCHEMBL23400982 0.91 MEN1 (0.52) MEN1KMT2ACYP1A2MAPTCRHBP
SCHEMBL23403324 0.91 MEN1 (0.46) MEN1KMT2ACYP1A2MAPTCRHBP
SCHEMBL23398443 0.87 MEN1 (0.41) MEN1KMT2ACYP1A2MAPTCYP2C19
SCHEMBL23398696 0.87 HSD11B1 (0.43) MEN1KMT2ACYP1A2MAPTCRHBP
SCHEMBL23402966 0.86 MEN1 (0.42) MEN1KMT2ACYP1A2MAPTCRHBP
SCHEMBL23400328 0.85 MEN1 (0.52) MEN1KMT2ACYP1A2MAPTCRHBP
SCHEMBL23399460 0.84 KMT2A (0.48) MEN1KMT2ACYP1A2MAPTCRHBP
SCHEMBL23399515 0.82 MEN1 (0.52) MEN1KMT2ACYP1A2MAPTCRHBP
SCHEMBL23400660 0.82 MEN1 (0.50) MEN1KMT2ACYP1A2MAPTCRHBP

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
EP-3828159-A1 STORAGE AND TRANSPORT STABILIZERS FOR POLYMERIZABLE COMPOUNDS BASF SE (DE) 2021-06-02 EP disclosed