SCHEMBL23399446

SCHEMBL23399446

CCCCn1nc(-c2ccccc2)c(-c2ccccc2)c1O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
CYP1A2 P05177 2/20 0.53
MAPT P10636 2/20 0.53
ESR1 P03372 1/20 0.49
CRHBP P24387 2/20 0.49
CRHR2 Q13324 2/20 0.49
PTGIR P43119 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
NR1H3 Q13133 1/20 0.49
TSHR P16473 3/20 0.44
ALDH1A1 P00352 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
MAPK1 P28482 1/20 0.43
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43
HSF1 Q00613 1/20 0.42
KDM4E B2RXH2 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL23400949 0.93 MEN1 (0.48) MEN1KMT2ACYP1A2MAPTESR1
SCHEMBL23403094 0.93 MEN1 (0.48) MEN1KMT2ACYP1A2MAPTESR1
SCHEMBL23402700 0.91 MEN1 (0.51) MEN1KMT2ACYP1A2MAPTESR1
SCHEMBL23398858 0.88 NR1H3 (0.45) MEN1KMT2ACYP1A2MAPTESR1
SCHEMBL23399720 0.87 ESR1 (0.45) MEN1KMT2ACYP1A2MAPTESR1
SCHEMBL23399777 0.86 NR1H3 (0.46) MEN1KMT2ACYP1A2MAPTESR1
SCHEMBL23400686 0.85 NR1H3 (0.52) MEN1KMT2ACYP1A2MAPTESR1
SCHEMBL23401883 0.85 MEN1 (0.53) MEN1KMT2ACYP1A2MAPTESR1
SCHEMBL23400518 0.84 ESR1 (0.49) MEN1KMT2AMAPTESR1CRHBP
SCHEMBL23399004 0.84 SMN1; SMN2 (0.53) MEN1KMT2AMAPTCRHBPCRHR2

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