SCHEMBL4064500

SCHEMBL4064500

O=C(O)c1ncccc1-c1nc2ccccc2o1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.53
ALDH1A1 P00352 7/20 0.53
HSD17B10 Q99714 6/20 0.53
HPGD P15428 5/20 0.53
NPC1 O15118 5/20 0.53
RAB9A P51151 5/20 0.53
TP53 P04637 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
TOP2A P11388 1/20 0.48
MAPT P10636 5/20 0.47
GAA P10253 2/20 0.47
GLA P06280 1/20 0.47
PKM P14618 1/20 0.47
CASP1 P29466 1/20 0.47
CASP7 P55210 1/20 0.47
KDM6B O15054 1/20 0.47
KDM6A O15550 1/20 0.47

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
SCHEMBL692888 0.80 MEN1 (0.60) KDM4EALDH1A1HSD17B10HPGDNPC1
SCHEMBL29931105 0.80 MEN1 (0.60) KDM4EALDH1A1HSD17B10HPGDNPC1
SCHEMBL4001170 0.80 NPC1 (0.49) KDM4EALDH1A1HSD17B10HPGDNPC1
SCHEMBL27784903 0.79 MEN1 (0.58) KDM4EALDH1A1HSD17B10HPGDNPC1
SCHEMBL12076627 0.79 KDM4E (0.62) KDM4EALDH1A1HSD17B10HPGDNPC1
SCHEMBL2800895 0.78 KDM4E (0.57) KDM4EALDH1A1HSD17B10HPGDNPC1
SCHEMBL16581490 0.77 KDM4E (0.60) KDM4EALDH1A1HSD17B10HPGDNPC1
SCHEMBL27029799 0.76 TOP2A (0.50) KDM4EALDH1A1HSD17B10HPGDNPC1
SCHEMBL3475375 0.76 NPC1 (0.58) KDM4EALDH1A1HSD17B10HPGDNPC1
SCHEMBL171055 0.76 TOP2A (0.62) KDM4EALDH1A1HSD17B10HPGDNPC1

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-2009151546-A2 METHODS FOR TREATING SPINAL MUSCULAR ATROPHY PTC THERAPEUTICS, INC. (US) 2009-12-17 WO claimed