SCHEMBL23403103

SCHEMBL23403103

CCCCc1c(O)c(-c2ccccc2)nn1-c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.47
CNR2 P34972 1/20 0.47
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
USP2 O75604 2/20 0.41
KDM4E B2RXH2 1/20 0.41
GMNN O75496 1/20 0.41
LMNA P02545 1/20 0.41
ESR1 P03372 1/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
MAPT P10636 1/20 0.41
CYP2C9 P11712 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
ALOX12 P18054 1/20 0.41
NFKB1 P19838 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL23400248 0.92 KMT2A (0.43) CNR1CNR2KMT2AMEN1USP2
SCHEMBL23400843 0.92 ADORA3 (0.41) CNR1CNR2KMT2AMEN1USP2
SCHEMBL23400347 0.91 KMT2A (0.49) CNR1CNR2KMT2AMEN1USP2
SCHEMBL23402931 0.89 RPA1 (0.44) KMT2AMEN1KDM4ELMNACYP1A2
SCHEMBL23401669 0.89 RPA1 (0.44) CNR1CNR2KMT2AMEN1KDM4E
SCHEMBL23398985 0.85 MEN1 (0.48) KMT2AMEN1KDM4ELMNAMAPT
SCHEMBL23398913 0.84 MAPT (0.46) KMT2AMEN1USP2KDM4EGMNN
SCHEMBL23399272 0.84 ALDH1A1 (0.41) CNR1CNR2ESR1TSHRALDH1A1
SCHEMBL23399517 0.83 KMT2A (0.45) CNR1KMT2AMEN1USP2KDM4E
SCHEMBL23403438 0.82 PDE4A (0.43) CNR1CNR2USP2LMNAMAPT

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