SCHEMBL8398174

SCHEMBL8398174

O=C(O)CCC(=O)N(Cc1nc2c(Cl)c(Cl)ccc2s1)c1ccccc1F

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 4/20 0.43
MAPT P10636 4/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
LMNA P02545 4/20 0.34
AKR1A1 P14550 1/20 0.34
POLB P06746 2/20 0.34
TP53 P04637 2/20 0.34
HTT P42858 2/20 0.33
ALDH1A1 P00352 1/20 0.33
PAX8 Q06710 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
ALOX15 P16050 1/20 0.32
NPC1 O15118 1/20 0.32
GAA P10253 1/20 0.32
RAB9A P51151 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL8396244 0.91 AKR1B1 (0.45) AKR1B1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL8400221 0.88 AKR1B1 (0.43) AKR1B1MAPTMEN1KMT2ALMNA
SCHEMBL8399303 0.88 AKR1B1 (0.43) AKR1B1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL8396310 0.88 SMN1; SMN2 (0.39) AKR1B1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL8395838 0.87 AKR1B1 (0.45) AKR1B1MAPTSMN1; SMN2LMNAAKR1A1
SCHEMBL8398067 0.86 AKR1B1 (0.46) AKR1B1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL8399278 0.85 AKR1B1 (0.41) AKR1B1MAPTMEN1KMT2APOLB
SCHEMBL8400252 0.85 AKR1B1 (0.41) AKR1B1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL8401608 0.84 AKR1B1 (0.43) AKR1B1MAPTLMNAAKR1A1POLB
SCHEMBL8399270 0.84 AKR1B1 (0.40) AKR1B1MAPTSMN1; SMN2MEN1KMT2A

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