SCHEMBL30112759

SCHEMBL30112759

CSc1c(-c2ccccc2)oc2ccc(C)cc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.57
KDM4E B2RXH2 5/20 0.57
HPGD P15428 4/20 0.55
ALDH1A1 P00352 4/20 0.55
SMN1; SMN2 Q16637 4/20 0.55
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
HTT P42858 2/20 0.55
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
TP53 P04637 5/20 0.50
CYP3A4 P08684 2/20 0.50
HSD17B10 Q99714 2/20 0.50
MAOB P27338 2/20 0.44
MAPK1 P28482 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
POLB P06746 1/20 0.42
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 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
SCHEMBL28367722 1.00 MAPT (0.57) MAPTKDM4EHPGDALDH1A1SMN1; SMN2
SCHEMBL28372012 0.83 ADORA3 (0.58) MAPTKDM4EHPGDALDH1A1SMN1; SMN2
SCHEMBL30112880 0.83 ADORA3 (0.58) MAPTKDM4EHPGDALDH1A1SMN1; SMN2
SCHEMBL28367488 0.82 ABCG2 (0.50) MAPTKDM4EHPGDALDH1A1SMN1; SMN2
SCHEMBL29839958 0.80 MAPT (0.63) MAPTKDM4EHPGDALDH1A1SMN1; SMN2
SCHEMBL29171535 0.75 MAPT (0.74) MAPTKDM4EHPGDALDH1A1SMN1; SMN2
SCHEMBL31316450 0.75 MAPT (0.74) MAPTKDM4EHPGDALDH1A1SMN1; SMN2
SCHEMBL3535900 0.74 KDM4E (0.82) MAPTKDM4EHPGDALDH1A1SMN1; SMN2
SCHEMBL6244040 0.74 MAPT (0.72) MAPTKDM4EHPGDALDH1A1SMN1; SMN2
SCHEMBL7827471 0.73 ABCG2 (0.60) MAPTKDM4EHPGDALDH1A1SMN1; SMN2

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-110746393-B Synthesis method of 3-methylthio substituted benzofuran compound 河北凯诺中星科技有限公司 2023-01-06 CN disclosed