SCHEMBL8399605

SCHEMBL8399605

CCOc1cccc(N(Cc2nc3c(F)c(F)ccc3s2)C(=O)CCC(=O)O)c1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LTB4R2 Q9NPC1 4/20 0.39
LMNA P02545 3/20 0.38
AKR1B1 P15121 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
PAX8 Q06710 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
HPGD P15428 1/20 0.36
TP53 P04637 2/20 0.36
FFAR1 O14842 1/20 0.36
FFAR4 Q5NUL3 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
SCHEMBL8395488 0.92 MTNR1A (0.39) LTB4R2LMNAAKR1B1ALDH1A1MAPT
SCHEMBL8400343 0.91 SMN1; SMN2 (0.39) LMNAAKR1B1ALDH1A1MAPTHTT
SCHEMBL8398957 0.88 AKR1A1 (0.43) AKR1B1
SCHEMBL8398941 0.87 AKR1B1 (0.39) LTB4R2LMNAAKR1B1MAPTTP53
SCHEMBL8400418 0.87 RAB9A (0.40) LTB4R2AKR1B1ALDH1A1HTTPAX8
SCHEMBL8399142 0.87 AKR1B1 (0.41) LTB4R2LMNAAKR1B1MEN1KMT2A
SCHEMBL8395207 0.86 LTB4R2 (0.39) LTB4R2LMNAALDH1A1MAPTHTT
SCHEMBL8518906 0.86 AKR1B1 (0.40) LTB4R2AKR1B1
SCHEMBL8398966 0.86 AKR1B1 (0.38) LTB4R2LMNAAKR1B1ALDH1A1MAPT
SCHEMBL8400340 0.86 AKR1B1 (0.46) LMNAAKR1B1MAPTHTTHPGD

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