SCHEMBL8400322

SCHEMBL8400322

CCOC(=O)CCC(=O)N(Cc1nc2cc(F)cc(F)c2s1)c1ccccc1Br

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.38
AKR1B1 P15121 6/20 0.38
L3MBTL1 Q9Y468 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
STING1 Q86WV6 2/20 0.33
GAA P10253 1/20 0.33
ALDH1A1 P00352 1/20 0.33
PRNP P04156 1/20 0.33
TSHR P16473 1/20 0.32
NPC1 O15118 1/20 0.32
PKM P14618 1/20 0.32
RAB9A P51151 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
SCHEMBL8395787 0.92 SMN1; SMN2 (0.40) SMN1; SMN2AKR1B1L3MBTL1MEN1KMT2A
SCHEMBL8395635 0.91 SMN1; SMN2 (0.39) SMN1; SMN2AKR1B1L3MBTL1MEN1KMT2A
SCHEMBL8399149 0.89 SMN1; SMN2 (0.38) SMN1; SMN2AKR1B1L3MBTL1MEN1KMT2A
SCHEMBL8395372 0.89 ALDH1A1 (0.40) SMN1; SMN2AKR1B1L3MBTL1MEN1KMT2A
SCHEMBL8398163 0.88 AKR1B1 (0.44) AKR1B1GAA
SCHEMBL8397843 0.88 SMN1; SMN2 (0.37) SMN1; SMN2AKR1B1L3MBTL1MEN1KMT2A
SCHEMBL8395933 0.87 SMN1; SMN2 (0.51) SMN1; SMN2AKR1B1L3MBTL1MEN1KMT2A
SCHEMBL8398060 0.86 SMN1; SMN2 (0.39) SMN1; SMN2AKR1B1L3MBTL1MEN1KMT2A
SCHEMBL8398956 0.86 AKR1A1 (0.42) SMN1; SMN2AKR1B1
SCHEMBL8397933 0.85 SMN1; SMN2 (0.39) SMN1; SMN2AKR1B1L3MBTL1MEN1KMT2A

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