SCHEMBL8395289

SCHEMBL8395289

CCOC(=O)CCC(=O)N(Cc1nc2c(F)c(F)ccc2s1)c1cccc(Br)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.40
EGFR P00533 1/20 0.37
ERBB3 P21860 1/20 0.37
KDM4E B2RXH2 2/20 0.34
MAPK1 P28482 1/20 0.34
AKR1B1 P15121 1/20 0.34
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
ALDH1A1 P00352 3/20 0.33
LMNA P02545 2/20 0.33
HPGD P15428 1/20 0.33
RAB9A P51151 1/20 0.33
STING1 Q86WV6 2/20 0.32
MAPT P10636 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
GAA P10253 1/20 0.32
THRB P10828 1/20 0.32
CLK1 P49759 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
LTB4R2 Q9NPC1 1/20 0.31

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
SCHEMBL8395834 0.91 SMN1; SMN2 (0.41) SMN1; SMN2KDM4EAKR1B1MEN1KMT2A
SCHEMBL8398979 0.91 SMN1; SMN2 (0.41) SMN1; SMN2KDM4EAKR1B1MEN1KMT2A
SCHEMBL8396237 0.90 SMN1; SMN2 (0.40) SMN1; SMN2EGFRAKR1B1ALDH1A1MAPT
SCHEMBL8397061 0.90 SMN1; SMN2 (0.40) SMN1; SMN2AKR1B1MEN1KMT2AALDH1A1
SCHEMBL8399027 0.89 SMN1; SMN2 (0.40) SMN1; SMN2EGFRERBB3KDM4EMAPK1
SCHEMBL8399202 0.89 SMN1; SMN2 (0.52) SMN1; SMN2AKR1B1MEN1KMT2AALDH1A1
SCHEMBL8396213 0.89 SMN1; SMN2 (0.39) SMN1; SMN2KDM4EALDH1A1LMNAHPGD
SCHEMBL8400343 0.89 SMN1; SMN2 (0.39) SMN1; SMN2AKR1B1MEN1KMT2AALDH1A1
SCHEMBL8395521 0.88 AKR1B1 (0.40) AKR1B1LMNA
SCHEMBL8396256 0.88 SMN1; SMN2 (0.39) SMN1; SMN2KDM4EAKR1B1MEN1KMT2A

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