SCHEMBL8672723

SCHEMBL8672723

CSn1c(-c2nccc(OCCO)c2C)nc2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ LMNA P02545 5/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ HPGD P15428 1/20 0.35
▸ PDE2A O00408 1/20 0.35
▸ PDE10A Q9Y233 1/20 0.35
▸ TP53 P04637 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ MAPT P10636 2/20 0.34
▸ PDPK1 O15530 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ POLB P06746 1/20 0.34

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
SCHEMBL8669339 0.94 MEN1 (0.39) MEN1KMT2ASMN1; SMN2LMNAMAPK1
SCHEMBL8443200 0.88 KMT2A (0.42) MEN1KMT2ASMN1; SMN2LMNAHPGD
SCHEMBL8550349 0.87 KDM4E (0.42) MEN1KMT2ASMN1; SMN2LMNAMAPK1
SCHEMBL8668968 0.84 SMN1; SMN2 (0.39) KMT2ASMN1; SMN2LMNAHPGDTP53
SCHEMBL5134227 0.83 MAPT (0.51) KMT2ALMNAHPGDPDE2APDE10A
SCHEMBL8551897 0.83 LMNA (0.35) MEN1KMT2ASMN1; SMN2LMNATP53
SCHEMBL8672735 0.83 MAPT (0.37) MEN1KMT2ASMN1; SMN2LMNAMAPT
SCHEMBL8443201 0.83 TDP1 (0.44) SMN1; SMN2PDE2AHSD17B10TSHR
SCHEMBL8667814 0.82 HTR2B (0.34) MEN1KMT2ASMN1; SMN2KDM4EPKM
SCHEMBL8668399 0.82 ALDH1A1 (0.37) KMT2ASMN1; SMN2LMNAHPGDPDE10A

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
US-5840910-A Pyridine derivatives having anti-ulcerative activity ESAI CO., LTD. (JP) 1998-11-24 — — US disclosed
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