SCHEMBL23398696

SCHEMBL23398696

CCCCc1c(O)c(-c2ccccc2)nn1C

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.43
RECQL P46063 2/20 0.43
MEN1 O00255 2/20 0.41
CYP1A2 P05177 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPT P10636 1/20 0.41
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
CYP2C9 P11712 1/20 0.40
CRHBP P24387 1/20 0.40
CYP2C19 P33261 1/20 0.40
CRHR2 Q13324 1/20 0.40
GPR84 Q9NQS5 1/20 0.40
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
NR1H3 Q13133 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39

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
SCHEMBL23400646 0.91 RECQL (0.44) RECQLMEN1KMT2AMAPTTSHR
SCHEMBL23398949 0.87 RECQL (0.47) RECQLMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL23399425 0.87 MEN1 (0.46) HSD11B1MEN1CYP1A2KMT2AMAPT
SCHEMBL23402320 0.87 SMN1; SMN2 (0.37) HSD11B1MEN1CYP1A2KMT2AMAPT
SCHEMBL23400982 0.87 MEN1 (0.52) HSD11B1MEN1CYP1A2KMT2AMAPT
SCHEMBL23403441 0.87 MEN1 (0.48) HSD11B1MEN1CYP1A2KMT2AMAPT
SCHEMBL23403103 0.82 CNR1 (0.47) HSD11B1MEN1CYP1A2KMT2AMAPT
SCHEMBL23401431 0.81 HDAC8 (0.40) HSD11B1MEN1CYP1A2KMT2AMAPT
SCHEMBL23402719 0.81 SRC (0.42) HSD11B1MEN1CYP1A2KMT2AMAPT
SCHEMBL23400328 0.81 MEN1 (0.52) MEN1CYP1A2KMT2AMAPTTSHR

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