SCHEMBL8672636

SCHEMBL8672636

COCCOCCCOc1ccnc(-n2c([S+](C)[O-])nc3ccccc32)c1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.37
▸ LMNA P02545 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ CYP2C9 P11712 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ HPGD P15428 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ DDAH1 O94760 1/20 0.36
▸ HTR1A P08908 1/20 0.36
▸ ADORA3 P0DMS8 1/20 0.36
▸ IDE P14735 1/20 0.36
▸ ADRA2B P18089 1/20 0.36
▸ TBXA2R P21731 1/20 0.36
▸ ACHE P22303 1/20 0.36
▸ PTGS1 P23219 1/20 0.36
▸ SLC6A2 P23975 1/20 0.36
▸ NPY1R P25929 1/20 0.36
▸ ADORA1 P30542 1/20 0.36
▸ ADRA1A P35348 1/20 0.36
▸ OPRM1 P35372 1/20 0.36

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
SCHEMBL8438828 0.94 KMT2A (0.41) SMN1; SMN2LMNAKMT2ACYP2C9ALDH1A1
SCHEMBL8670315 0.87 MAPT (0.33) SMN1; SMN2LMNAKMT2AMAPTNPC1
SCHEMBL8668979 0.85 MEN1 (0.36) SMN1; SMN2LMNAKMT2AALDH1A1HPGD
SCHEMBL8668966 0.82 SMN1; SMN2 (0.38) SMN1; SMN2LMNAKMT2ACYP2C9ALDH1A1
SCHEMBL8436458 0.80 MAPT (0.48) LMNAKMT2ACYP2C9ALDH1A1HPGD
SCHEMBL8442772 0.79 HTR1D (0.41) SMN1; SMN2LMNAKMT2AACHEGAA
SCHEMBL8672637 0.78 SMN1; SMN2 (0.37) SMN1; SMN2LMNAKMT2ACYP2C9ALDH1A1
SCHEMBL8442999 0.78 HTR1D (0.35) SMN1; SMN2LMNAKMT2AALDH1A1NPY1R
SCHEMBL8672844 0.77 MAPT (0.30) MAPTPTGS1
SCHEMBL8440207 0.77 NPSR1 (0.36) KMT2AALDH1A1MAPTNPY1RKCNH2

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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