SCHEMBL29856239

SCHEMBL29856239

CCC(=O)Nc1cnc(OC)cc1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.53
HPGD P15428 3/20 0.53
RAB9A P51151 4/20 0.51
NPC1 O15118 3/20 0.51
TP53 P04637 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
KMT2A Q03164 3/20 0.50
HTT P42858 2/20 0.50
MEN1 O00255 2/20 0.50
ALDH1A1 P00352 7/20 0.49
NNMT P40261 1/20 0.49
KDM4E B2RXH2 4/20 0.47
LMNA P02545 3/20 0.46
PKM P14618 2/20 0.45
MITF O75030 1/20 0.45
POLB P06746 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
PABPC1 P11940 1/20 0.43
ADORA3 P0DMS8 1/20 0.42
ADORA1 P30542 1/20 0.42

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
SCHEMBL31554404 0.86 HPGD (0.47) HSD17B10HPGDRAB9ANPC1TP53
SCHEMBL3932458 0.84 NNMT (0.54) HSD17B10HPGDRAB9ANPC1KMT2A
SCHEMBL26789819 0.84 HTT (0.46) HSD17B10HPGDRAB9ANPC1TP53
SCHEMBL19780075 0.83 NNMT (0.53) HPGDRAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL26789530 0.81 RAB9A (0.54) HSD17B10HPGDRAB9ANPC1TP53
SCHEMBL31554490 0.78 RAB9A (0.40) HSD17B10HPGDRAB9ANPC1TP53
SCHEMBL26789805 0.78 RAB9A (0.56) HSD17B10HPGDRAB9ANPC1TP53
SCHEMBL7681674 0.77 NNMT (0.47) HPGDSMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL29713519 0.77 NNMT (0.47) HPGDSMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL2253522 0.76 NNMT (0.66) KMT2AMEN1ALDH1A1NNMTPOLB

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
WO-2022169974-A1 INHIBITORS OF URAT1 AND PHARMACEUTICAL USES THEREOF NEXYS THERAPEUTICS, INC. (US) 2022-08-11 WO disclosed