SCHEMBL8399085

SCHEMBL8399085

O=C(O)CCC(=O)N(Cc1nc2ccc(F)c(F)c2s1)c1cccc(F)c1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LTB4R2 Q9NPC1 6/20 0.40
PKM P14618 1/20 0.38
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
NPC1 O15118 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 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
SCHEMBL8399483 0.91 HDAC6 (0.39) LTB4R2NPC1LMNAHDAC6
SCHEMBL8395274 0.91 AKR1B1 (0.37) NPC1TP53
SCHEMBL8396627 0.90 RXRA (0.34) LTB4R2KMT2ALMNA
SCHEMBL8398137 0.90 RAB9A (0.40) LTB4R2KMT2AMEN1NPC1LMNA
SCHEMBL8399115 0.89 MTNR1A (0.40) LTB4R2KMT2ANPC1PTGDR2LMNA
SCHEMBL8396071 0.89 LTB4R2 (0.36) LTB4R2PKMPTGDR2LMNATP53
SCHEMBL8395601 0.88 SMN1; SMN2 (0.41) LTB4R2NPC1HDAC1HDAC8HDAC6
SCHEMBL8395207 0.88 LTB4R2 (0.39) LTB4R2KMT2AMEN1NPC1LMNA
SCHEMBL8399338 0.88 STK17B (0.35) LTB4R2
SCHEMBL8400228 0.88 LTB4R2 (0.35) LTB4R2PTGDR2LMNATP53

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