SCHEMBL23400511

SCHEMBL23400511

CCCn1nc(O)c(CC)c1-c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
MAPT P10636 2/20 0.43
CRHBP P24387 2/20 0.43
CRHR2 Q13324 2/20 0.43
TSHR P16473 2/20 0.43
MAPK1 P28482 1/20 0.43
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43
CNR1 P21554 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.41
POLB P06746 1/20 0.41
RECQL P46063 1/20 0.41
SLC9A1 P19634 1/20 0.38
ESR1 P03372 3/20 0.38
GRM5 P41594 1/20 0.38
NR1H3 Q13133 1/20 0.37
ESR2 Q92731 1/20 0.37
CYP1A2 P05177 2/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL23402666 0.91 NR1H3 (0.48) MEN1KMT2AMAPTCRHBPCRHR2
SCHEMBL23400897 0.89 KMT2A (0.43) MEN1KMT2AMAPTCRHBPCRHR2
SCHEMBL23402406 0.87 HTR2A (0.46) MEN1KMT2ACRHBPCRHR2MAPK1
SCHEMBL23401117 0.87 HSD11B1 (0.44) MEN1KMT2AMAPTCRHBPCRHR2
SCHEMBL23402652 0.86 ESR1 (0.37) MEN1KMT2AMAPTTSHRMAPK1
SCHEMBL23399468 0.85 MEN1 (0.40) MEN1KMT2AMAPTCRHBPCRHR2
SCHEMBL23403118 0.84 TP53 (0.40) MEN1KMT2AMAPTCRHBPCRHR2
SCHEMBL23399690 0.83 PTGIR (0.45) MEN1KMT2AMAPTCRHBPCRHR2
SCHEMBL23401631 0.83 CNR1 (0.52) MEN1KMT2AMAPTCRHBPCRHR2
SCHEMBL23402677 0.82 GRM5 (0.48) 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