SCHEMBL23402189

SCHEMBL23402189

CCCc1nn(CCC)c(-c2ccccc2)c1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
TSHR P16473 1/20 0.43
CRHBP P24387 1/20 0.43
MAPK1 P28482 1/20 0.43
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43
CRHR2 Q13324 1/20 0.43
CNR1 P21554 1/20 0.43
LMNA P02545 2/20 0.40
TP53 P04637 1/20 0.40
PDE5A O76074 1/20 0.39
LCK P06239 1/20 0.38
SLC9A1 P19634 1/20 0.38
ESR1 P03372 2/20 0.38
HSD17B10 Q99714 2/20 0.38
CYP2C19 P33261 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 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
SCHEMBL23398915 0.92 HSD11B1 (0.43) MAPTMEN1KMT2ATSHRCRHBP
SCHEMBL23398901 0.91 NR1H3 (0.48) MAPTMEN1KMT2ATSHRCRHBP
SCHEMBL23400102 0.89 MAPT (0.44) MAPTMEN1KMT2ATSHRCRHBP
SCHEMBL23398785 0.89 HTR2A (0.48) MAPTMEN1KMT2ATSHRCRHBP
SCHEMBL23399801 0.86 NR1H3 (0.49) MAPTMEN1KMT2ATSHRCRHBP
SCHEMBL23401544 0.86 MAPT (0.40) MAPTMEN1KMT2ATSHRMAPK1
SCHEMBL23399820 0.86 PDE5A (0.45) MAPTMEN1KMT2ATSHRCRHBP
SCHEMBL23401087 0.84 TP53 (0.44) MAPTMEN1KMT2ATSHRCRHBP
SCHEMBL23400245 0.84 MEN1 (0.41) MAPTMEN1KMT2ATSHRCRHBP
SCHEMBL23402422 0.84 ALDH1A1 (0.38) MAPTTSHRCNR1LMNATP53

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