SCHEMBL8400557

SCHEMBL8400557

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

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.41
AKR1B1 P15121 6/20 0.39
LTB4R2 Q9NPC1 1/20 0.35
MAOB P27338 1/20 0.35
USP2 O75604 2/20 0.35
KDM4E B2RXH2 1/20 0.35
TSHR P16473 2/20 0.34
MAPT P10636 3/20 0.34
LMNA P02545 2/20 0.34
GLA P06280 1/20 0.34
HTT P42858 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TP53 P04637 1/20 0.34
RXFP1 Q9HBX9 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
SCHEMBL8395199 0.95 SMN1; SMN2 (0.43) SMN1; SMN2AKR1B1KDM4ETSHRMAPT
SCHEMBL8397933 0.93 SMN1; SMN2 (0.39) SMN1; SMN2AKR1B1KDM4ETSHRMAPT
SCHEMBL8396278 0.93 AKR1B1 (0.41) SMN1; SMN2AKR1B1MAOBTSHRLMNA
SCHEMBL8395933 0.93 SMN1; SMN2 (0.51) SMN1; SMN2AKR1B1MAPTALDH1A1
SCHEMBL8399094 0.93 SMN1; SMN2 (0.39) SMN1; SMN2AKR1B1USP2KDM4ETSHR
SCHEMBL8395400 0.93 SMN1; SMN2 (0.39) SMN1; SMN2AKR1B1LTB4R2MAOBLMNA
SCHEMBL8401802 0.92 SMN1; SMN2 (0.38) SMN1; SMN2AKR1B1MAPTTP53NPSR1
SCHEMBL8399296 0.92 SMN1; SMN2 (0.38) SMN1; SMN2AKR1B1USP2TSHRMAPT
SCHEMBL8396400 0.90 MEN1 (0.38) SMN1; SMN2AKR1B1LTB4R2MAOBMAPT
SCHEMBL8400241 0.90 SMN1; SMN2 (0.42) SMN1; SMN2AKR1B1LTB4R2MAOBKDM4E

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