SCHEMBL23402004

SCHEMBL23402004

CCCn1nc(-c2ccccc2)c(O)c1C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.51
KMT2A Q03164 6/20 0.51
MAPT P10636 3/20 0.51
CRHBP P24387 3/20 0.51
CRHR2 Q13324 3/20 0.51
MAPK1 P28482 2/20 0.51
CASP1 P29466 2/20 0.51
CASP7 P55210 2/20 0.51
TSHR P16473 1/20 0.51
ESR1 P03372 4/20 0.51
CYP1A2 P05177 2/20 0.43
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
NR1H3 Q13133 1/20 0.41
GAA P10253 1/20 0.40
KDM4E B2RXH2 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
SCHEMBL23403222 0.91 MEN1 (0.53) MEN1KMT2AMAPTCRHBPCRHR2
SCHEMBL23400115 0.87 ESR1 (0.48) MEN1KMT2AMAPTCRHBPCRHR2
SCHEMBL23401458 0.87 KMT2A (0.49) MEN1KMT2AMAPTCRHBPCRHR2
SCHEMBL11866677 0.85 MEN1 (0.56) MEN1KMT2AMAPTCRHBPCRHR2
SCHEMBL23402494 0.83 MEN1 (0.50) MEN1KMT2AMAPTCRHBPCRHR2
SCHEMBL23400660 0.83 MEN1 (0.50) MEN1KMT2AMAPTCRHBPCRHR2
SCHEMBL23399393 0.82 MEN1 (0.50) MEN1KMT2AMAPTCRHBPCRHR2
SCHEMBL23401769 0.82 MEN1 (0.50) MEN1KMT2AMAPTCRHBPCRHR2
SCHEMBL23402498 0.81 MEN1 (0.51) MEN1KMT2AMAPTCRHBPCRHR2
SCHEMBL23400818 0.81 KDM4E (0.51) MEN1KMT2AESR1CYP1A2PDE4A

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