SCHEMBL8397887

SCHEMBL8397887

CCOC(=O)CCC(=O)N(Cc1nc2c(F)c(F)ccc2s1)c1ccccc1OC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.39
KDM4E B2RXH2 3/20 0.39
HSD17B10 Q99714 5/20 0.39
TSHR P16473 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
GAA P10253 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
AKR1B1 P15121 1/20 0.36
TDP1 Q9NUW8 3/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
MAPT P10636 2/20 0.35
POLB P06746 1/20 0.35
STING1 Q86WV6 2/20 0.35
HPGD P15428 2/20 0.35
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.34
USP2 O75604 1/20 0.34
LMNA P02545 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL8401799 0.91 SMN1; SMN2 (0.41) ALDH1A1KDM4EL3MBTL1GAASMN1; SMN2
SCHEMBL8396110 0.90 AKR1B1 (0.41) ALDH1A1KDM4EHSD17B10TSHRGAA
SCHEMBL8399112 0.90 SMN1; SMN2 (0.40) ALDH1A1KDM4ETSHRL3MBTL1GAA
SCHEMBL8399175 0.88 SMN1; SMN2 (0.39) ALDH1A1KDM4EL3MBTL1GAASMN1; SMN2
SCHEMBL8395796 0.88 SMN1; SMN2 (0.39) ALDH1A1KDM4EL3MBTL1GAASMN1; SMN2
SCHEMBL8399080 0.87 SMN1; SMN2 (0.38) ALDH1A1KDM4EHSD17B10L3MBTL1GAA
SCHEMBL8396328 0.87 AKR1B1 (0.42) ALDH1A1KDM4EHSD17B10TSHRL3MBTL1
SCHEMBL8399202 0.86 SMN1; SMN2 (0.52) ALDH1A1L3MBTL1GAASMN1; SMN2AKR1B1
SCHEMBL8399110 0.86 ALDH1A1 (0.39) ALDH1A1KDM4EHSD17B10TSHRL3MBTL1
SCHEMBL8400564 0.86 ALDH1A1 (0.39) ALDH1A1KDM4EHSD17B10TSHRL3MBTL1

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