SCHEMBL29930951

SCHEMBL29930951

COc1ccccc1-c1cc(C(=O)O)n[nH]1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 5/20 0.60
ALDH1A1 P00352 6/20 0.54
KDM4E B2RXH2 5/20 0.54
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
MAPT P10636 3/20 0.48
POLB P06746 2/20 0.48
ALOX15 P16050 4/20 0.47
RAB9A P51151 4/20 0.47
NPC1 O15118 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ALOX12 P18054 1/20 0.47
NFKB1 P19838 1/20 0.47
MAPK1 P28482 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
HPGD P15428 5/20 0.46
NPSR1 Q6W5P4 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
HCAR2 Q8TDS4 3/20 0.45

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
SCHEMBL71938 1.00 HSD17B10 (0.60) HSD17B10ALDH1A1KDM4EMEN1KMT2A
SCHEMBL29930704 0.87 HSD17B10 (0.62) HSD17B10ALDH1A1KDM4EMEN1KMT2A
SCHEMBL23611759 0.87 HSD17B10 (0.62) HSD17B10ALDH1A1KDM4EMEN1KMT2A
SCHEMBL24025727 0.84 BRD4 (0.49) HSD17B10MEN1KMT2AMAPTPOLB
SCHEMBL1528145 0.84 KMT2A (0.55) HSD17B10ALDH1A1KDM4EMEN1KMT2A
SCHEMBL8695064 0.84 MEN1 (0.49) HSD17B10ALDH1A1KDM4EMEN1KMT2A
SCHEMBL13779277 0.83 HSD17B10 (0.58) HSD17B10ALDH1A1KDM4EMEN1KMT2A
SCHEMBL1528634 0.83 MAPT (0.50) HSD17B10ALDH1A1KDM4EMEN1KMT2A
SCHEMBL9071981 0.83 HSD17B10 (0.69) HSD17B10ALDH1A1KDM4EMEN1KMT2A
SCHEMBL14438952 0.82 HSD17B10 (0.53) HSD17B10ALDH1A1KDM4EMEN1KMT2A

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
CN-115210229-A Polycyclic amides as UBE2K modulators for the treatment of cancer 博格有限责任公司 2022-10-18 CN disclosed