SCHEMBL8399142

SCHEMBL8399142

O=C(O)CCC(=O)N(Cc1nc2c(F)c(F)ccc2s1)c1cccc(F)c1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.41
PKM P14618 1/20 0.40
LTB4R2 Q9NPC1 6/20 0.40
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
LMNA P02545 1/20 0.35
NPC1 O15118 1/20 0.35

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
SCHEMBL8518906 0.91 AKR1B1 (0.40) AKR1B1LTB4R2
SCHEMBL8400340 0.91 AKR1B1 (0.46) AKR1B1LMNA
SCHEMBL8400418 0.90 RAB9A (0.40) AKR1B1LTB4R2MEN1KMT2ANPC1
SCHEMBL8395521 0.90 AKR1B1 (0.40) AKR1B1PKMLMNA
SCHEMBL8398941 0.89 AKR1B1 (0.39) AKR1B1PKMLTB4R2LMNA
SCHEMBL8395488 0.88 MTNR1A (0.39) AKR1B1LTB4R2KMT2ALMNA
SCHEMBL8398979 0.88 SMN1; SMN2 (0.41) AKR1B1LTB4R2MEN1KMT2ALMNA
SCHEMBL8400711 0.88 AKR1B1 (0.38) AKR1B1LTB4R2MEN1KMT2ALMNA
SCHEMBL8395254 0.88 AKR1B1 (0.41) AKR1B1LTB4R2LMNA
SCHEMBL8399605 0.87 LTB4R2 (0.39) AKR1B1LTB4R2MEN1KMT2ALMNA

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