SCHEMBL8670475

SCHEMBL8670475

COCCCOC1(C)C=CN=C(c2nc3ccccc3n2[S+](C)[O-])C1C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 3/20 0.34
▸ KDM4E B2RXH2 5/20 0.33
▸ HSD17B10 Q99714 4/20 0.33
▸ SMN1; SMN2 Q16637 3/20 0.32
▸ ALDH1A1 P00352 3/20 0.32
▸ MAPT P10636 3/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ CXCR5 P32302 1/20 0.32
▸ OPRM1 P35372 1/20 0.32
▸ APLNR P35414 1/20 0.32
▸ OPRD1 P41143 1/20 0.32
▸ CCR6 P51684 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ TLR9 Q9NR96 1/20 0.32
▸ CASR P41180 1/20 0.31
▸ NPC1 O15118 3/20 0.31
▸ TP53 P04637 3/20 0.31
▸ RAB9A P51151 3/20 0.31
▸ TSHR P16473 3/20 0.31
▸ RECQL P46063 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
SCHEMBL8667734 0.83 HPGD (0.35) HPGDKDM4EHSD17B10SMN1; SMN2ALDH1A1
SCHEMBL8669816 0.70 AR (0.38) HPGDKDM4EHSD17B10SMN1; SMN2ALDH1A1
SCHEMBL8439253 0.70 MAPT (0.41) HPGDKDM4EHSD17B10SMN1; SMN2ALDH1A1
SCHEMBL8633727 0.69 MAPT (0.41) HPGDKDM4EHSD17B10SMN1; SMN2ALDH1A1
SCHEMBL8500399 0.69 ALDH1A1 (0.35) HPGDKDM4EALDH1A1MAPTKMT2A
SCHEMBL8503831 0.68 MAPT (0.39) HPGDKDM4EHSD17B10SMN1; SMN2ALDH1A1
SCHEMBL8672637 0.65 SMN1; SMN2 (0.37) HPGDKDM4EHSD17B10SMN1; SMN2ALDH1A1
SCHEMBL8501995 0.64 RAB9A (0.43) HPGDHSD17B10SMN1; SMN2ALDH1A1MAPT
SCHEMBL8670481 0.64 ALDH1A1 (0.36) HPGDKDM4EHSD17B10SMN1; SMN2ALDH1A1
SCHEMBL8503176 0.64 — —

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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