SCHEMBL29084451

SCHEMBL29084451

O=C(OCc1ccc(Cl)cc1)c1n[nH]c2ccccc12

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GALR3 O60755 1/20 0.68
KDM4E B2RXH2 8/20 0.63
RAB9A P51151 5/20 0.63
SMN1; SMN2 Q16637 5/20 0.63
LMNA P02545 4/20 0.63
HSD17B10 Q99714 2/20 0.63
MAPK10 P53779 1/20 0.63
MAPT P10636 5/20 0.59
NPC1 O15118 4/20 0.59
KMT2A Q03164 3/20 0.59
HTT P42858 2/20 0.59
MEN1 O00255 2/20 0.59
GAA P10253 1/20 0.59
NFKB1 P19838 1/20 0.59
NFKB2 Q00653 1/20 0.59
RELA Q04206 1/20 0.59
STAT3 P40763 1/20 0.56
HIF1A Q16665 1/20 0.56
ALDH1A1 P00352 3/20 0.54
USP2 O75604 1/20 0.53

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
SCHEMBL6599812 0.89 KDM4E (0.70) KDM4ERAB9ASMN1; SMN2LMNAHSD17B10
SCHEMBL29084455 0.83 KDM4E (0.57) GALR3KDM4ERAB9ASMN1; SMN2LMNA
SCHEMBL959364 0.77 KDM4E (1.00) KDM4ERAB9ASMN1; SMN2LMNAHSD17B10
SCHEMBL29709972 0.77 KDM4E (1.00) KDM4ERAB9ASMN1; SMN2LMNAHSD17B10
SCHEMBL7351475 0.77 NPC1 (0.73) GALR3KDM4ERAB9ASMN1; SMN2LMNA
SCHEMBL29687771 0.76 KDM4E (0.71) KDM4ERAB9ASMN1; SMN2LMNAHSD17B10
SCHEMBL7349354 0.76 KDM4E (0.71) KDM4ERAB9ASMN1; SMN2LMNAHSD17B10
SCHEMBL4603661 0.76 KDM4E (0.60) KDM4ERAB9ASMN1; SMN2LMNAHSD17B10
SCHEMBL928139 0.74 KDM4E (0.72) KDM4ERAB9ASMN1; SMN2LMNAHSD17B10
SCHEMBL958967 0.74 KDM4E (0.72) KDM4ERAB9ASMN1; SMN2LMNAHSD17B10

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-116438162-A Modulators of MAS-related G protein receptor X4 and related products and methods 伊赛恩特制药公司 2023-07-14 CN disclosed