SCHEMBL8399338

SCHEMBL8399338

CSc1cccc(N(Cc2nc3ccc(F)c(F)c3s2)C(=O)CCC(=O)O)c1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
STK17B O94768 2/20 0.35
LTB4R2 Q9NPC1 3/20 0.32
AKR1B1 P15121 1/20 0.32
GHSR Q92847 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
MAP3K8 P41279 1/20 0.31
STK17A Q9UEE5 1/20 0.31

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
SCHEMBL8396429 0.91 LTB4R2 (0.33) LTB4R2AKR1B1
SCHEMBL8396430 0.90 SMN1; SMN2 (0.39) LTB4R2
SCHEMBL8982219 0.89 STK17B (0.32) STK17BAKR1B1MAP3K8STK17A
SCHEMBL8398137 0.88 RAB9A (0.40) LTB4R2AKR1B1
SCHEMBL8399085 0.88 LTB4R2 (0.40) LTB4R2
SCHEMBL8398694 0.87 AKR1B1 (0.40) STK17BLTB4R2AKR1B1GAA
SCHEMBL8399483 0.87 HDAC6 (0.39) LTB4R2
SCHEMBL8395274 0.86 AKR1B1 (0.37) AKR1B1GAAHPGD
SCHEMBL8399115 0.86 MTNR1A (0.40) LTB4R2
SCHEMBL8396071 0.86 LTB4R2 (0.36) LTB4R2

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