SCHEMBL23398563

SCHEMBL23398563

CCCCc1c(-c2ccccc2)nn(CCC)c1O

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.47
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
MAPT P10636 2/20 0.47
CRHBP P24387 2/20 0.47
CRHR2 Q13324 2/20 0.47
TSHR P16473 2/20 0.47
MAPK1 P28482 1/20 0.47
CASP1 P29466 1/20 0.47
CASP7 P55210 1/20 0.47
CYP1A2 P05177 2/20 0.45
HSD11B1 P28845 2/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
NR1H3 Q13133 1/20 0.43
PTGDR2 Q9Y5Y4 2/20 0.41

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
SCHEMBL23400892 0.94 MEN1 (0.51) ESR1MEN1KMT2AMAPTCRHBP
SCHEMBL23400931 0.91 KMT2A (0.49) ESR1MEN1KMT2AMAPTCRHBP
SCHEMBL23400572 0.90 MEN1 (0.43) ESR1MEN1KMT2AMAPTCRHBP
SCHEMBL23401566 0.89 ESR1 (0.44) ESR1MEN1KMT2AMAPTCRHBP
SCHEMBL23402674 0.89 KMT2A (0.51) ESR1MEN1KMT2AMAPTCRHBP
SCHEMBL23402500 0.87 MEN1 (0.50) ESR1MEN1KMT2AMAPTCRHBP
SCHEMBL23400543 0.87 TLR8 (0.43) ESR1MEN1KMT2ACYP1A2CYP2C9
SCHEMBL23398972 0.85 SMN1; SMN2 (0.47) MEN1KMT2AMAPTCRHBPCRHR2
SCHEMBL23399727 0.85 MEN1 (0.40) ESR1MEN1KMT2AMAPTCRHBP
SCHEMBL23399507 0.84 MEN1 (0.52) ESR1MEN1KMT2AMAPTCRHBP

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