SCHEMBL8395357

SCHEMBL8395357

CCCSc1ccc(N(Cc2nc3cc(F)cc(F)c3s2)C(=O)CCC(=O)OCC)cc1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.36
AKR1B1 P15121 4/20 0.35
PPOX P50336 4/20 0.33
MAPT P10636 3/20 0.32
KMT2A Q03164 3/20 0.32
GLA P06280 2/20 0.32
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32
USP2 O75604 2/20 0.32
ALDH1A1 P00352 2/20 0.31
LMNA P02545 2/20 0.31
MEN1 O00255 2/20 0.31
NPC1 O15118 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
PRNP P04156 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
TSHR P16473 1/20 0.31
HTT P42858 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
SCHEMBL8399618 0.91 AKR1B1 (0.38) AKR1B1KMT2AMEN1NPC1L3MBTL1
SCHEMBL8399296 0.91 SMN1; SMN2 (0.38) SMN1; SMN2AKR1B1MAPTKMT2AGLA
SCHEMBL8400557 0.89 SMN1; SMN2 (0.41) SMN1; SMN2AKR1B1MAPTGLAKDM4E
SCHEMBL8395199 0.89 SMN1; SMN2 (0.43) SMN1; SMN2AKR1B1MAPTKMT2AGLA
SCHEMBL8395400 0.88 SMN1; SMN2 (0.39) SMN1; SMN2AKR1B1KMT2ALMNAMEN1
SCHEMBL8396626 0.87 SMN1; SMN2 (0.37) SMN1; SMN2PPOXMAPTKMT2AGLA
SCHEMBL8396400 0.87 MEN1 (0.38) SMN1; SMN2AKR1B1MAPTKMT2AALDH1A1
SCHEMBL8396278 0.87 AKR1B1 (0.41) SMN1; SMN2AKR1B1LMNANPC1TSHR
SCHEMBL8397933 0.87 SMN1; SMN2 (0.39) SMN1; SMN2AKR1B1MAPTKMT2AKDM4E
SCHEMBL8395933 0.87 SMN1; SMN2 (0.51) SMN1; SMN2AKR1B1MAPTKMT2AALDH1A1

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