SCHEMBL8395254

SCHEMBL8395254

O=C(O)CCC(=O)N(Cc1nc2c(F)c(F)ccc2s1)c1ccc(F)cc1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.41
LTB4R2 Q9NPC1 2/20 0.35
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
LMNA P02545 2/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
MAPT P10636 1/20 0.32

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
SCHEMBL8397960 0.93 AKR1B1 (0.41) AKR1B1LTB4R2MAOAMAOBHDAC6
SCHEMBL8400340 0.92 AKR1B1 (0.46) AKR1B1LMNAMAPT
SCHEMBL8399205 0.92 AKR1B1 (0.40) AKR1B1LMNAPTGDR2HDAC6ALDH1A1
SCHEMBL8396280 0.92 AKR1B1 (0.40) AKR1B1LTB4R2HDAC6MAPT
SCHEMBL8396397 0.89 AKR1B1 (0.38) AKR1B1LTB4R2LMNAMAPT
SCHEMBL8399186 0.89 USP2 (0.40) AKR1B1LTB4R2LMNAPTGDR2ALDH1A1
SCHEMBL8400726 0.89 AKR1B1 (0.38) AKR1B1LMNAHDAC6MAPT
SCHEMBL8398003 0.89 AKR1B1 (0.38) AKR1B1HDAC6
SCHEMBL8399142 0.88 AKR1B1 (0.41) AKR1B1LTB4R2LMNA
SCHEMBL8395772 0.87 SMN1; SMN2 (0.41) AKR1B1LTB4R2MAOBLMNAKDM4E

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