SCHEMBL23399515

SCHEMBL23399515

CCCCn1nc(-c2ccccc2)c(O)c1CC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
CYP1A2 P05177 2/20 0.52
MAPT P10636 2/20 0.52
ESR1 P03372 2/20 0.48
CRHBP P24387 2/20 0.48
CRHR2 Q13324 2/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
NR1H3 Q13133 1/20 0.48
TSHR P16473 3/20 0.43
CASP1 P29466 2/20 0.42
CASP7 P55210 2/20 0.42
MAPK1 P28482 1/20 0.42
HSF1 Q00613 1/20 0.41
KDM4E B2RXH2 2/20 0.41
HSD17B10 Q99714 2/20 0.41
ALDH1A1 P00352 2/20 0.40
HPGD P15428 1/20 0.40
ATM Q13315 1/20 0.40

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
SCHEMBL23400328 0.91 MEN1 (0.52) MEN1KMT2ACYP1A2MAPTESR1
SCHEMBL23400982 0.91 MEN1 (0.52) MEN1KMT2ACYP1A2MAPTESR1
SCHEMBL23402494 0.91 MEN1 (0.50) MEN1KMT2ACYP1A2MAPTESR1
SCHEMBL23400510 0.87 ESR1 (0.44) MEN1KMT2ACYP1A2MAPTESR1
SCHEMBL23398664 0.86 MEN1 (0.48) MEN1KMT2ACYP1A2MAPTESR1
SCHEMBL23403441 0.85 MEN1 (0.48) MEN1KMT2ACYP1A2MAPTESR1
SCHEMBL11873211 0.85 MEN1 (0.58) MEN1KMT2ACYP1A2MAPTESR1
SCHEMBL23399460 0.84 KMT2A (0.48) MEN1KMT2ACYP1A2MAPTCRHBP
SCHEMBL23403222 0.84 MEN1 (0.53) MEN1KMT2ACYP1A2MAPTESR1
SCHEMBL23399425 0.82 MEN1 (0.46) MEN1KMT2ACYP1A2MAPTESR1

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