SCHEMBL23399345

SCHEMBL23399345

CCCCc1nn(CC)c(-c2ccccc2)c1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
HTR2B P41595 1/20 0.43
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
HSD11B1 P28845 1/20 0.40
ADORA3 P0DMS8 3/20 0.39
ADORA1 P30542 1/20 0.39
NR1H3 Q13133 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
CRHBP P24387 2/20 0.38
CRHR2 Q13324 2/20 0.38
KDM4E B2RXH2 1/20 0.38
USP2 O75604 1/20 0.38
TNNI3 P19429 1/20 0.38
MAPK1 P28482 1/20 0.38
CASP1 P29466 1/20 0.38
TNNT2 P45379 1/20 0.38
CASP7 P55210 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 0.91 HSD11B1 (0.43) HSD11B1ADORA3ADORA1NR1H3MEN1
SCHEMBL23399801 0.91 NR1H3 (0.49) HSD11B1NR1H3MEN1KMT2ACRHBP
SCHEMBL23398785 0.91 HTR2A (0.48) HTR2AHTR2CHTR2BCA1CA2
SCHEMBL23398901 0.87 NR1H3 (0.48) NR1H3MEN1KMT2ACRHBPCRHR2
SCHEMBL23402560 0.87 MAPT (0.40) HSD11B1ADORA3ADORA1MEN1KMT2A
SCHEMBL23399847 0.86 HSD11B1 (0.37) HSD11B1ADORA3ADORA1NR1H3MEN1
SCHEMBL23398401 0.85 HSD11B1 (0.43) HSD11B1ADORA3ADORA1NR1H3MEN1
SCHEMBL23403165 0.85 TP53 (0.44) ADORA3KDM4EMAPK1L3MBTL1ADORA2A
SCHEMBL23401417 0.84 HTR2A (0.47) HTR2AHTR2CHTR2BCA1CA2
SCHEMBL23402189 0.83 MAPT (0.43) HTR2AHTR2CHTR2BNR1H3MEN1

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