SCHEMBL8669942

SCHEMBL8669942

COCCCCOc1ccnc(C[S+]([O-])n2cnc3ccccc32)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 8/20 0.40
▸ SMN1; SMN2 Q16637 7/20 0.40
▸ TSHR P16473 3/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ HTT P42858 6/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ MKNK1 Q9BUB5 1/20 0.38
▸ MKNK2 Q9HBH9 1/20 0.38
▸ MAPT P10636 4/20 0.36
▸ HPGD P15428 2/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ GRM4 Q14833 1/20 0.36
▸ FGFR1 P11362 4/20 0.35
▸ NPSR1 Q6W5P4 2/20 0.35
▸ STAT3 P40763 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ LNPEP Q9UIQ6 1/20 0.35

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
SCHEMBL8669805 0.98 GRM4 (0.38) LMNASMN1; SMN2TSHRALOX15HTT
SCHEMBL8435845 0.80 CYP2C9 (0.37) LMNATSHRHTTMAPTHPGD
SCHEMBL630973 0.77 POLB (0.43) LMNASMN1; SMN2TSHRALOX15HTT
SCHEMBL27561186 0.76 POLB (0.42) LMNASMN1; SMN2TSHRALOX15HTT
SCHEMBL5943999 0.75 MAPT (0.45) LMNASMN1; SMN2HTTMEN1KMT2A
SCHEMBL5448791 0.72 MAPT (0.40) LMNASMN1; SMN2TSHRHTTMEN1
SCHEMBL8503824 0.72 NOS1 (0.47) LMNASMN1; SMN2MEN1KMT2AMAPT
SCHEMBL636638 0.70 CYP11B1 (0.50) LMNASMN1; SMN2TSHRALOX15HTT
SCHEMBL8503831 0.70 MAPT (0.39) LMNASMN1; SMN2TSHRHTTKMT2A
SCHEMBL8502624 0.70 NOS1 (0.47) LMNASMN1; SMN2HTTMEN1KMT2A

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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