SCHEMBL23400136

SCHEMBL23400136

Cc1ccc(-c2nn(C(C)(C)C)c(C(C)C)c2O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK2 O43353 5/20 0.44
HTT P42858 4/20 0.44
ALDH1A1 P00352 3/20 0.44
SRC P12931 3/20 0.44
HPGD P15428 2/20 0.44
KDM4E B2RXH2 2/20 0.44
ABL1 P00519 2/20 0.44
EGFR P00533 2/20 0.44
LMNA P02545 2/20 0.44
LCK P06239 2/20 0.44
FYN P06241 2/20 0.44
YES1 P07947 2/20 0.44
LYN P07948 2/20 0.44
PDGFRA P16234 2/20 0.44
PRKACA P17612 2/20 0.44
KDR P35968 2/20 0.44
FRK P42685 2/20 0.44
MAPK9 P45984 2/20 0.44
CSNK1A1 P48729 2/20 0.44
CSNK1D P48730 2/20 0.44

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
SCHEMBL23398942 0.86 SRC (0.43) RIPK2ALDH1A1SRCHPGDKDM4E
SCHEMBL23400113 0.81 RIPK2 (0.48) RIPK2HTTALDH1A1SRCHPGD
SCHEMBL23400071 0.80 RIPK2 (0.47) RIPK2HTTALDH1A1SRCHPGD
SCHEMBL23403182 0.80 SMN1; SMN2 (0.37) ALDH1A1HPGDKDM4ELMNARPS6KA3
SCHEMBL23399758 0.79 RIPK2 (0.44) RIPK2HTTALDH1A1SRCHPGD
SCHEMBL23399667 0.79 HPGD (0.35) RIPK2HTTALDH1A1SRCHPGD
SCHEMBL23403531 0.78 RIPK2 (0.44) RIPK2HTTALDH1A1SRCHPGD
SCHEMBL23398932 0.78 RIPK2 (0.46) RIPK2HTTALDH1A1SRCHPGD
SCHEMBL23401036 0.78 EGFR (0.39) ALDH1A1SRCHPGDKDM4EABL1
SCHEMBL23400754 0.77 ESR1 (0.42) ALDH1A1SRCKDM4ELMNAKDR

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