SCHEMBL16154646

SCHEMBL16154646

COCC(=O)CN1C(=O)C(=Cc2ccc(-c3ccc(Cl)cc3Cl)o2)SC1=S

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ITGB2 P05107 2/20 0.62
▸ ITGAM P11215 2/20 0.62
▸ MAP3K5 Q99683 8/20 0.61
▸ MAPT P10636 1/20 0.56
▸ HIF1AN Q9NWT6 1/20 0.51
▸ TNFRSF1A P19438 1/20 0.51
▸ SYK P43405 1/20 0.51

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
SCHEMBL3894013 0.87 MAP3K5 (0.79) ITGB2ITGAMMAP3K5MAPTHIF1AN
SCHEMBL3894018 0.87 MAP3K5 (0.79) ITGB2ITGAMMAP3K5MAPTHIF1AN
SCHEMBL13056334 0.87 MAP3K5 (0.79) ITGB2ITGAMMAP3K5MAPTHIF1AN
SCHEMBL12340057 0.86 ITGB2 (0.84) ITGB2ITGAMMAP3K5MAPT
SCHEMBL3893925 0.82 MAP3K5 (0.79) ITGB2ITGAMMAP3K5MAPTHIF1AN
SCHEMBL3893918 0.82 MAP3K5 (0.79) ITGB2ITGAMMAP3K5MAPTHIF1AN
SCHEMBL13056333 0.81 MAP3K5 (0.72) MAP3K5MAPT
SCHEMBL20846475 0.80 MAP3K5 (0.59) ITGB2ITGAMMAP3K5MAPTHIF1AN
SCHEMBL8290217 0.80 MAP3K5 (0.76) ITGB2ITGAMMAP3K5MAPT
SCHEMBL12340045 0.79 ITGB2 (0.72) ITGB2ITGAMMAP3K5MAPT

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-20140303026-A1 Compounds for Modulating Integrin CD11B/CD18 GB006, INC. 2014-10-09 — — US disclosed
US-20140303026-A1 Compounds for Modulating Integrin CD11B/CD18 GB006, INC. 2014-10-09 — — US disclosed
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