SCHEMBL23398407

SCHEMBL23398407

CCCn1nc(-c2ccccc2)c(O)c1C(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.48
KMT2A Q03164 7/20 0.48
CRHBP P24387 3/20 0.48
CRHR2 Q13324 3/20 0.48
MAPT P10636 2/20 0.48
MAPK1 P28482 2/20 0.48
CASP1 P29466 2/20 0.48
CASP7 P55210 2/20 0.48
TSHR P16473 1/20 0.48
ESR1 P03372 4/20 0.45
CYP1A2 P05177 2/20 0.40
POLB P06746 1/20 0.40
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
KDM4E B2RXH2 2/20 0.39
GAA P10253 1/20 0.39
USP2 O75604 1/20 0.38
TNNI3 P19429 1/20 0.38
TNNT2 P45379 1/20 0.38
TNNC1 P63316 1/20 0.38

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
SCHEMBL23403634 0.92 MEN1 (0.50) MEN1KMT2ACRHBPCRHR2MAPT
SCHEMBL23400580 0.88 KMT2A (0.46) MEN1KMT2ACRHBPCRHR2MAPT
SCHEMBL23401636 0.87 ESR1 (0.44) MEN1KMT2ACRHBPCRHR2MAPT
SCHEMBL11866677 0.81 MEN1 (0.56) MEN1KMT2ACRHBPCRHR2MAPT
SCHEMBL23403673 0.81 CNR2 (0.37) MEN1KMT2ACRHBPCRHR2MAPK1
SCHEMBL23402004 0.80 MEN1 (0.51) MEN1KMT2ACRHBPCRHR2MAPT
SCHEMBL23398793 0.80 RECQL (0.43) MEN1KMT2AMAPTMAPK1CASP1
SCHEMBL23402200 0.79 KDM4E (0.42) MEN1KMT2ACRHBPCRHR2MAPT
SCHEMBL23403601 0.79 MEN1 (0.48) MEN1KMT2ACRHBPCRHR2MAPT
SCHEMBL23402494 0.79 MEN1 (0.50) MEN1KMT2ACRHBPCRHR2MAPT

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