SCHEMBL8668979

SCHEMBL8668979

Cc1c(OCCO)ccnc1-n1c([S+](C)[O-])nc2ccccc21

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ LMNA P02545 3/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ PDE10A Q9Y233 2/20 0.33
▸ PDE2A O00408 1/20 0.33
▸ MAPT P10636 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ TSHR P16473 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ PKM P14618 1/20 0.32
▸ ACSS2 Q9NR19 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ HPGD P15428 1/20 0.31
▸ PDPK1 O15530 1/20 0.31

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
SCHEMBL8670315 0.89 MAPT (0.33) MEN1KMT2ASMN1; SMN2LMNAMAPK1
SCHEMBL8438828 0.88 KMT2A (0.41) MEN1KMT2ASMN1; SMN2LMNAMAPT
SCHEMBL8672636 0.85 SMN1; SMN2 (0.37) MEN1KMT2ASMN1; SMN2LMNAMAPT
SCHEMBL8672641 0.85 TLR8 (0.38) SMN1; SMN2ALDH1A1
SCHEMBL8436458 0.84 MAPT (0.48) KMT2ALMNAMAPK1PDE10APDE2A
SCHEMBL8668302 0.83 CACNA1D (0.35) MEN1KMT2ATSHRPKM
SCHEMBL8672844 0.83 MAPT (0.30) MAPT
SCHEMBL8442772 0.83 HTR1D (0.41) MEN1KMT2ASMN1; SMN2LMNATSHR
SCHEMBL8670335 0.81 CYP2C9 (0.36) KMT2ALMNAMAPTNPC1TSHR
SCHEMBL8440207 0.81 NPSR1 (0.36) MEN1KMT2AMAPK1MAPTNPC1

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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