SCHEMBL8395772

SCHEMBL8395772

CCOC(=O)CCC(=O)N(Cc1nc2c(F)c(F)ccc2s1)c1ccc(F)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.41
ALDH1A1 P00352 2/20 0.35
HK1 P19367 1/20 0.35
HKDC1 Q2TB90 1/20 0.35
LTB4R2 Q9NPC1 2/20 0.35
AKR1B1 P15121 1/20 0.35
MAPT P10636 3/20 0.34
USP2 O75604 1/20 0.34
LMNA P02545 1/20 0.34
TRPM8 Q7Z2W7 1/20 0.33
FAAH O00519 1/20 0.33
KDM4E B2RXH2 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PKM P14618 1/20 0.33
MAOB P27338 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL8397851 0.94 SMN1; SMN2 (0.44) SMN1; SMN2ALDH1A1HK1HKDC1LTB4R2
SCHEMBL8398980 0.93 SMN1; SMN2 (0.41) SMN1; SMN2AKR1B1MAPTLMNATRPM8
SCHEMBL8399027 0.92 SMN1; SMN2 (0.40) SMN1; SMN2ALDH1A1HK1HKDC1AKR1B1
SCHEMBL8399202 0.92 SMN1; SMN2 (0.52) SMN1; SMN2ALDH1A1AKR1B1MAPTLMNA
SCHEMBL8395487 0.92 SMN1; SMN2 (0.39) SMN1; SMN2ALDH1A1LTB4R2AKR1B1MAPT
SCHEMBL8396366 0.92 SMN1; SMN2 (0.39) SMN1; SMN2LTB4R2AKR1B1MAPTLMNA
SCHEMBL8395482 0.91 SMN1; SMN2 (0.39) SMN1; SMN2ALDH1A1AKR1B1MAPTKDM4E
SCHEMBL8399711 0.91 SMN1; SMN2 (0.39) SMN1; SMN2ALDH1A1AKR1B1KDM4ETDP1
SCHEMBL8398989 0.89 SMN1; SMN2 (0.38) SMN1; SMN2ALDH1A1LTB4R2AKR1B1MAPT
SCHEMBL8398979 0.89 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1HK1HKDC1LTB4R2

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