SCHEMBL23399951

SCHEMBL23399951

Cc1ccccc1-c1c(O)c(CC(C)C)nn1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.36
USP2 O75604 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HSD17B10 Q99714 1/20 0.36
NMT1 P30419 2/20 0.36
PDE2A O00408 1/20 0.36
ALOX15 P16050 2/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MAPT P10636 1/20 0.35
TSHR P16473 1/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
GABRA1 P14867 1/20 0.34
GABRB2 P47870 1/20 0.34
TDP2 O95551 1/20 0.34
MEN1 O00255 2/20 0.33
LMNA P02545 2/20 0.33
KMT2A Q03164 2/20 0.33

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
SCHEMBL23401991 0.84 HPGD (0.36) HPGDUSP2KDM4EHSD17B10ALOX15
SCHEMBL23401435 0.84 ESR1 (0.36) HPGDUSP2KDM4EHSD17B10ALOX15
SCHEMBL23400287 0.84 HEXA (0.40) HPGDUSP2ALOX15RAB9ASMN1; SMN2
SCHEMBL23402999 0.83 HPGD (0.35) HPGDUSP2KDM4EHSD17B10ALOX15
SCHEMBL23403096 0.83 HIF1A (0.42) HPGDUSP2KDM4EHSD17B10TSHR
SCHEMBL23399253 0.83 HPGD (0.35) HPGDUSP2KDM4EHSD17B10ALOX15
SCHEMBL23400024 0.82 HPGD (0.34) HPGDUSP2KDM4EHSD17B10ALOX15
SCHEMBL23400927 0.82 KDM4E (0.38) HPGDUSP2KDM4EHSD17B10ALOX15
SCHEMBL23398673 0.81 PDE5A (0.42) HPGDUSP2KDM4ERAB9ASMN1; SMN2
SCHEMBL23400632 0.81 RECQL (0.40) HPGDUSP2KDM4EHSD17B10NMT1

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