SCHEMBL8399269

SCHEMBL8399269

CCCOc1ccc(NCc2nc3cc(F)cc(F)c3s2)cc1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.38
CACNA1B Q00975 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
NPC1 O15118 2/20 0.35
ALDH1A1 P00352 2/20 0.35
RAB9A P51151 1/20 0.35
LMNA P02545 2/20 0.34
PTPN7 P35236 1/20 0.34
DUSP3 P51452 1/20 0.34
AKR1B1 P15121 4/20 0.34
HRH3 Q9Y5N1 3/20 0.34
MAPK1 P28482 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
GAA P10253 1/20 0.34
FAAH O00519 3/20 0.33
TP53 P04637 1/20 0.33
CXCL12 P48061 1/20 0.33

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
SCHEMBL8395489 0.83 AKR1B1 (0.39) MAPTSMN1; SMN2NPC1ALDH1A1RAB9A
SCHEMBL8399268 0.83 SMN1; SMN2 (0.37) MAPTCACNA1BSMN1; SMN2NPC1ALDH1A1
SCHEMBL8399274 0.82 MEN1 (0.34) SMN1; SMN2NPC1AKR1B1L3MBTL1
SCHEMBL8399713 0.82 AKR1B1 (0.45) MAPTAKR1B1
SCHEMBL8399262 0.82 AKR1B1 (0.40) MAPTSMN1; SMN2NPC1ALDH1A1RAB9A
SCHEMBL8400483 0.80 AKR1B1 (0.44) MAPTSMN1; SMN2NPC1ALDH1A1RAB9A
SCHEMBL8395435 0.80 AKR1B1 (0.38) MAPTSMN1; SMN2NPC1ALDH1A1RAB9A
SCHEMBL8399351 0.80 AKR1B1 (0.46) MAPTSMN1; SMN2NPC1RAB9AAKR1B1
SCHEMBL8396655 0.79 HDAC6 (0.50) MAPTSMN1; SMN2NPC1ALDH1A1RAB9A
SCHEMBL8399257 0.79 SYK (0.44) MAPTSMN1; SMN2NPC1ALDH1A1RAB9A

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