SCHEMBL23401573

SCHEMBL23401573

CCCCc1c(O)nn(-c2ccc(C)cc2)c1-c1ccccc1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 2/20 0.38
LMNA P02545 4/20 0.37
MAPK1 P28482 3/20 0.37
KMT2A Q03164 2/20 0.37
HIF1A Q16665 2/20 0.37
MAPT P10636 2/20 0.37
TSHR P16473 2/20 0.37
TP53 P04637 2/20 0.37
NFKB1 P19838 2/20 0.37
KDM4E B2RXH2 2/20 0.37
GMNN O75496 1/20 0.37
ESR1 P03372 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
ALOX15 P16050 1/20 0.37
ALOX12 P18054 1/20 0.37
CYP2C19 P33261 1/20 0.37
THPO P40225 1/20 0.37

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
SCHEMBL23400060 0.94 LMNA (0.43) USP2LMNAMAPK1KMT2AHIF1A
SCHEMBL23401973 0.92 USP2 (0.45) USP2LMNAMAPK1KMT2AHIF1A
SCHEMBL23401112 0.88 LMNA (0.39) USP2LMNAMAPK1KMT2AHIF1A
SCHEMBL23403432 0.88 PDE5A (0.40) KMT2AHIF1AKDM4ECYP1A2CYP3A4
SCHEMBL23402517 0.87 RPA1 (0.39) USP2LMNAMAPK1MAPTTP53
SCHEMBL23399176 0.86 USP2 (0.49) USP2LMNAMAPK1KMT2AHIF1A
SCHEMBL23403681 0.85 CYP2C9 (0.47) USP2LMNAMAPK1KMT2AHIF1A
SCHEMBL23399597 0.85 POLB (0.38) USP2MAPTSMN1; SMN2POLBALDH1A1
SCHEMBL23400002 0.84 PDE4A (0.42) USP2LMNAMAPK1KMT2AHIF1A
SCHEMBL23402988 0.82 MAPT (0.47) USP2LMNAMAPK1KMT2AHIF1A

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