SCHEMBL8400228

SCHEMBL8400228

O=C(O)CCC(=O)N(Cc1nc2ccc(F)c(F)c2s1)c1ccc(F)cc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LTB4R2 Q9NPC1 2/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
AKR1B1 P15121 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
MAPT P10636 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
MDM2 Q00987 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
SCHEMBL8399344 0.93 HDAC6 (0.37) LTB4R2MAOAMAOBAKR1B1TP53
SCHEMBL8395274 0.92 AKR1B1 (0.37) ALDH1A1TSHRAKR1B1TP53
SCHEMBL8399708 0.92 AKR1B1 (0.35) LTB4R2AKR1B1MAPTTP53
SCHEMBL8399247 0.92 AKR1B1 (0.32) PTGDR2AKR1B1
SCHEMBL8399251 0.89 TSHR (0.40) LTB4R2PTGDR2ALDH1A1TSHRAKR1B1
SCHEMBL8400120 0.89 LTB4R2 (0.37) LTB4R2AKR1B1TP53
SCHEMBL8982219 0.89 STK17B (0.32) AKR1B1
SCHEMBL8399615 0.89 USP5 (0.35) AKR1B1LMNATP53
SCHEMBL8399085 0.88 LTB4R2 (0.40) LTB4R2PTGDR2LMNATP53
SCHEMBL8400200 0.87 SMN1; SMN2 (0.41) LTB4R2KDM4EALDH1A1TSHRMAOB

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