SCHEMBL5229104

SCHEMBL5229104

Cc1ccsc1[C@H]1Sc2ccccc2NC(=O)[C@H]1N[C@@H](C)C(N)=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 5/20 0.39
KDM4E B2RXH2 5/20 0.39
TDP1 Q9NUW8 3/20 0.39
HPGD P15428 3/20 0.39
USP2 O75604 1/20 0.39
ESR1 P03372 1/20 0.39
POLB P06746 1/20 0.39
THRB P10828 1/20 0.39
ALOX15 P16050 1/20 0.39
PTPN7 P35236 1/20 0.39
RECQL P46063 1/20 0.39
ESR2 Q92731 1/20 0.39
CTDSP1 Q9GZU7 1/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
PKM P14618 1/20 0.39
HTT P42858 3/20 0.39
TSHR P16473 1/20 0.38
MAPT P10636 4/20 0.37
ALDH1A1 P00352 3/20 0.37

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
SCHEMBL5229108 0.85 HSD17B10 (0.40) HSD17B10KDM4ETDP1HPGDUSP2
SCHEMBL5224313 0.83 HSD17B10 (0.55) HSD17B10KDM4ETDP1HPGDUSP2
SCHEMBL3545953 0.83 HSD17B10 (0.55) HSD17B10KDM4ETDP1HPGDUSP2
SCHEMBL3343550 0.74 PSEN1 (0.43) MEN1KMT2APKM
SCHEMBL6092015 0.71 HTT (0.33) HSD17B10KDM4EMEN1KMT2APKM
SCHEMBL3343552 0.69 KDM4E (0.37) HSD17B10KDM4ETDP1HPGDUSP2
SCHEMBL4110970 0.69 HSD17B10 (0.47) HSD17B10KDM4ETDP1HPGDUSP2
SCHEMBL3346163 0.68 HSD17B10 (0.55) HSD17B10KDM4ETDP1HPGDUSP2
SCHEMBL5225903 0.68 HSD17B10 (0.55) HSD17B10KDM4ETDP1HPGDUSP2
Ammonia Solution, Strong SCHEMBL6208637 0.68 HSD17B10 (0.54) HSD17B10KDM4ETDP1HPGDUSP2

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-1845089-A1 Novel lactams and uses thereof AstraZeneca AB (SE) 2007-10-17 EP disclosed