SCHEMBL8399094

SCHEMBL8399094

CCOC(=O)CCC(=O)N(Cc1nc2cc(F)cc(F)c2s1)c1ccc(OC)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.39
HDAC1 Q13547 2/20 0.37
ALDH1A1 P00352 8/20 0.37
LMNA P02545 5/20 0.37
MAPT P10636 3/20 0.37
USP2 O75604 2/20 0.37
PTGDR2 Q9Y5Y4 3/20 0.37
AKR1B1 P15121 2/20 0.37
TSHR P16473 3/20 0.36
HTT P42858 3/20 0.36
GLA P06280 1/20 0.36
NPC1 O15118 3/20 0.36
HPGD P15428 3/20 0.36
RAB9A P51151 2/20 0.36
GAA P10253 1/20 0.36
NPSR1 Q6W5P4 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
KDM4E B2RXH2 3/20 0.35
HSD17B10 Q99714 2/20 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
SCHEMBL8400557 0.93 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1LMNAMAPTUSP2
SCHEMBL8395199 0.92 SMN1; SMN2 (0.43) SMN1; SMN2MAPTAKR1B1TSHRGLA
SCHEMBL8398076 0.90 SMN1; SMN2 (0.39) SMN1; SMN2LMNAMAPTPTGDR2AKR1B1
SCHEMBL8396400 0.90 MEN1 (0.38) SMN1; SMN2ALDH1A1LMNAMAPTAKR1B1
SCHEMBL8397933 0.90 SMN1; SMN2 (0.39) SMN1; SMN2ALDH1A1MAPTAKR1B1TSHR
SCHEMBL8396278 0.90 AKR1B1 (0.41) SMN1; SMN2LMNAAKR1B1TSHRNPC1
SCHEMBL8395933 0.90 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1MAPTAKR1B1GAA
SCHEMBL8400194 0.90 AKR1B1 (0.40) HDAC1ALDH1A1LMNAMAPTUSP2
SCHEMBL8395400 0.89 SMN1; SMN2 (0.39) SMN1; SMN2LMNAPTGDR2AKR1B1GAA
SCHEMBL8401802 0.88 SMN1; SMN2 (0.38) SMN1; SMN2MAPTAKR1B1NPSR1MEN1

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