SCHEMBL28529043

SCHEMBL28529043

Oc1ccccc1-c1nnc(CCl)o1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.61
KDM4E B2RXH2 3/20 0.61
HSD17B10 Q99714 2/20 0.61
TSHR P16473 2/20 0.61
MAPK1 P28482 2/20 0.61
PKM P14618 1/20 0.61
ALDH1A1 P00352 4/20 0.59
LMNA P02545 1/20 0.59
SMN1; SMN2 Q16637 4/20 0.54
KMT2A Q03164 2/20 0.54
MEN1 O00255 1/20 0.54
MAPT P10636 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
NPC1 O15118 4/20 0.48
RAB9A P51151 4/20 0.48
CYP1A2 P05177 1/20 0.48
POLB P06746 1/20 0.48
CYP2C19 P33261 1/20 0.48
NOTUM Q6P988 2/20 0.45
CPB1 P15086 1/20 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
SCHEMBL13927483 0.83 HPGD (0.61) HPGDKDM4EHSD17B10TSHRMAPK1
SCHEMBL3826961 0.83 HPGD (0.61) HPGDKDM4EHSD17B10TSHRMAPK1
SCHEMBL9737555 0.81 NPC1 (0.64) HPGDKDM4EHSD17B10TSHRMAPK1
SCHEMBL30566761 0.81 SMN1; SMN2 (0.69) HPGDKDM4EHSD17B10TSHRMAPK1
SCHEMBL2406430 0.81 SMN1; SMN2 (0.69) HPGDKDM4EHSD17B10TSHRMAPK1
SCHEMBL29077243 0.79 ALDH1A1 (0.59) HPGDKDM4EHSD17B10TSHRMAPK1
SCHEMBL11920156 0.79 RAB9A (0.67) HPGDKDM4EHSD17B10TSHRMAPK1
SCHEMBL27918922 0.79 HPGD (0.64) HPGDKDM4EHSD17B10TSHRMAPK1
SCHEMBL27475343 0.79 ALDH1A1 (0.59) HPGDKDM4ETSHRMAPK1PKM
SCHEMBL13915607 0.79 HPGD (0.61) HPGDKDM4EHSD17B10TSHRMAPK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112645940-A 1,3, 4-oxadiazole-norfloxacin heterozygote and preparation method and application thereof 广东省微生物研究所(广东省微生物分析检测中心) 2021-04-13 CN disclosed
CN-112480099-A 1,3, 4-oxadiazole-ciprofloxacin heterozygote and preparation method and application thereof 广东省微生物研究所(广东省微生物分析检测中心) 2021-03-12 CN disclosed