SCHEMBL8396376

SCHEMBL8396376

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.40
AKR1B1 P15121 1/20 0.34
NPC1 O15118 2/20 0.33
KMT2A Q03164 6/20 0.33
MEN1 O00255 5/20 0.33
STING1 Q86WV6 2/20 0.32
MAPT P10636 6/20 0.32
POLB P06746 2/20 0.32
FPR2 P25090 2/20 0.32
NPSR1 Q6W5P4 2/20 0.31
KDM4E B2RXH2 1/20 0.31
DHODH Q02127 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
LMNA P02545 2/20 0.31
GAA P10253 1/20 0.31
RAB9A P51151 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
HTT P42858 1/20 0.30
EGFR P00533 1/20 0.30

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
SCHEMBL8398032 0.92 SMN1; SMN2 (0.44) SMN1; SMN2AKR1B1NPC1KMT2AMEN1
SCHEMBL8400414 0.92 SMN1; SMN2 (0.41) SMN1; SMN2AKR1B1NPC1KMT2AMEN1
SCHEMBL8397981 0.91 SMN1; SMN2 (0.40) SMN1; SMN2AKR1B1NPC1KMT2AMEN1
SCHEMBL8396242 0.90 SMN1; SMN2 (0.52) SMN1; SMN2AKR1B1NPC1KMT2AMEN1
SCHEMBL8395662 0.90 SMN1; SMN2 (0.39) SMN1; SMN2KMT2AMEN1MAPTPOLB
SCHEMBL8400255 0.90 SMN1; SMN2 (0.39) SMN1; SMN2AKR1B1NPC1KMT2AMEN1
SCHEMBL8396653 0.90 SMN1; SMN2 (0.39) SMN1; SMN2AKR1B1NPC1KMT2AMEN1
SCHEMBL8396319 0.89 SMN1; SMN2 (0.40) SMN1; SMN2AKR1B1NPC1KMT2AMEN1
SCHEMBL8398087 0.89 SMN1; SMN2 (0.39) SMN1; SMN2AKR1B1NPC1KMT2AMEN1
SCHEMBL8399636 0.87 SMN1; SMN2 (0.38) SMN1; SMN2AKR1B1NPC1MAPTPOLB

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