SCHEMBL8604129

SCHEMBL8604129

CC(C)c1ccc2c(=S)cc[nH]c2c1Cl

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CCR8 P51685 1/20 0.33
▸ KMT2A Q03164 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL8600228 0.78 ALDH1A1 (0.32) ALDH1A1MAPTL3MBTL1
SCHEMBL8601952 0.76 ALDH1A1 (0.38) ALDH1A1MAPTL3MBTL1
SCHEMBL8600224 0.70 CSNK2A2 (0.43) CCR8KMT2AMAPT
SCHEMBL12278257 0.68 AHR (0.38) CCR8KMT2A
SCHEMBL8526642 0.68 P2RX7 (0.41) —
SCHEMBL18999654 0.66 CCR8 (0.33) CCR8KMT2AALDH1A1MAPTL3MBTL1
SCHEMBL27317473 0.66 GABRA1 (0.42) ALDH1A1
SCHEMBL8603454 0.66 CCR8 (0.34) CCR8KMT2AALDH1A1MAPT
SCHEMBL8604156 0.63 KIF11 (0.47) ALDH1A1
SCHEMBL8600076 0.62 ADRB3 (0.37) ALDH1A1MAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5773449-A BACTERICIDES FOR HELICOBACTER ZENYAKU KOGYO KABUSHIKI KAISHA (JP) 1998-06-30 — — US disclosed
EP-0786454-A1 THIOQUINOLONE DERIVATIVE ZENYAKU KOGYO KABUSHIKIKAISHA (JP) 1997-07-30 — — EP disclosed
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