SCHEMBL5194116

SCHEMBL5194116

Cc1ccc(C(=O)N(c2nc(-c3ccccc3)sc2OC(=O)O)C(C)C)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ USP2 O75604 1/20 0.40
▸ RARA P10276 2/20 0.39
▸ RARB P10826 2/20 0.39
▸ RARG P13631 2/20 0.39
▸ ALOX5 P09917 2/20 0.39
▸ KDM4E B2RXH2 3/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ NLRP1 Q9C000 1/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ TRPM8 Q7Z2W7 1/20 0.37
▸ MAPT P10636 3/20 0.37
▸ TSHR P16473 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ GAA P10253 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ MLYCD O95822 1/20 0.37
▸ ADORA3 P0DMS8 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
SCHEMBL5196161 0.85 RAB9A (0.46) RARARARBRARGALOX5KDM4E
SCHEMBL5194112 0.84 SMN1; SMN2 (0.51) USP2RARARARBRARGALOX5
SCHEMBL3816963 0.76 USP2 (0.41) USP2KDM4EMEN1KMT2AMAPT
SCHEMBL5196165 0.75 MAPT (0.45) ALOX5KDM4EMEN1ALDH1A1KMT2A
SCHEMBL3807725 0.72 HSD17B1 (0.43) KDM4EMAPTRAB9ANPC1
SCHEMBL13685249 0.71 SMN1; SMN2 (0.61) ALOX5KDM4EMEN1ALDH1A1KMT2A
SCHEMBL5196153 0.71 SMN1; SMN2 (0.55) RARARARBRARGALOX5KDM4E
SCHEMBL3815731 0.68 HDAC6 (0.39) ALDH1A1SMN1; SMN2MAPTRAB9AMLYCD
SCHEMBL5193555 0.68 KMT2A (0.55) KDM4EMEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL5197734 0.68 POLB (0.49) ALOX5KDM4EMEN1ALDH1A1KMT2A

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
EP-1321463-B1 Thiazole derivatives and their use for the treatment or prevention of Flavivirus infections VIROCHEM PHARMA INC (CA) 2007-08-08 — — EP claimed
Send feedback