SCHEMBL23401388

SCHEMBL23401388

CCCn1nc(-c2ccccc2)c(C(C)C)c1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.48
KMT2A Q03164 6/20 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 3/20 0.45
RECQL P46063 2/20 0.45
CYP1A2 P05177 2/20 0.40
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
KDM4E B2RXH2 1/20 0.38
USP2 O75604 1/20 0.38
TNNI3 P19429 1/20 0.38
TNNT2 P45379 1/20 0.38
TNNC1 P63316 1/20 0.38
ATM Q13315 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
SCHEMBL23401394 0.92 MEN1 (0.50) MEN1KMT2ACRHBPCRHR2MAPT
SCHEMBL23403662 0.88 MEN1 (0.46) MEN1KMT2ACRHBPCRHR2MAPT
SCHEMBL23399406 0.87 ESR1 (0.44) MEN1KMT2ACRHBPCRHR2MAPT
SCHEMBL23399532 0.85 ESR1 (0.41) MEN1KMT2ACRHBPCRHR2MAPT
SCHEMBL23398823 0.84 RECQL (0.42) MEN1KMT2ACRHBPCRHR2MAPK1
SCHEMBL23400867 0.82 ESR1 (0.42) MEN1KMT2ACRHBPCRHR2MAPT
SCHEMBL23402700 0.80 MEN1 (0.51) MEN1KMT2ACRHBPCRHR2MAPT
SCHEMBL23402498 0.80 MEN1 (0.51) MEN1KMT2ACRHBPCRHR2MAPT
SCHEMBL23403523 0.80 MEN1 (0.46) MEN1KMT2ACRHBPCRHR2MAPT
SCHEMBL18770442 0.80 RECQL (0.58) MEN1KMT2AMAPTMAPK1CASP1

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