SCHEMBL8396397

SCHEMBL8396397

CCCc1ccc(N(Cc2nc3c(F)c(F)ccc3s2)C(=O)CCC(=O)O)cc1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.38
LTB4R2 Q9NPC1 3/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MAPT P10636 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
TP53 P04637 1/20 0.34

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
SCHEMBL8396366 0.90 SMN1; SMN2 (0.39) AKR1B1LTB4R2L3MBTL1MAPTSMN1; SMN2
SCHEMBL8396280 0.89 AKR1B1 (0.40) AKR1B1LTB4R2MAPTSMN1; SMN2
SCHEMBL8395254 0.89 AKR1B1 (0.41) AKR1B1LTB4R2MAPTLMNA
SCHEMBL8397960 0.88 AKR1B1 (0.41) AKR1B1LTB4R2MAPT
SCHEMBL8400340 0.88 AKR1B1 (0.46) AKR1B1MAPTSMN1; SMN2LMNAGAA
SCHEMBL8399205 0.87 AKR1B1 (0.40) AKR1B1LMNATP53
SCHEMBL8396212 0.87 LTB4R2 (0.39) AKR1B1LTB4R2L3MBTL1MAPTLMNA
SCHEMBL8399248 0.87 AKR1B1 (0.36) AKR1B1LTB4R2LMNA
SCHEMBL8400726 0.86 AKR1B1 (0.38) AKR1B1MAPTSMN1; SMN2LMNATP53
SCHEMBL8399186 0.86 USP2 (0.40) AKR1B1LTB4R2MAPTLMNATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0647636-B1 BENZOTHIAZOLE COMPOUND, PROCESS FOR PRODUCING THE SAME, AND USE THEREOF SENJU PHARMA CO (JP) 1999-06-09 EP disclosed
US-5532257-A ENZYME INHIBITOR SENJU PHARMACEUTICAL CO., LTD (JP) 1996-07-02 US disclosed
EP-0647636-A1 BENZOTHIAZOLE COMPOUND, PROCESS FOR PRODUCING THE SAME, AND USE THEREOF Senju Pharmaceutical Co., Ltd. (JP) 1995-04-12 EP disclosed