SCHEMBL8401802

SCHEMBL8401802

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

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.38
AKR1B1 P15121 6/20 0.36
TP53 P04637 1/20 0.32
POLB P06746 1/20 0.32
MEN1 O00255 3/20 0.31
KMT2A Q03164 3/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MAPT P10636 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL8400557 0.92 SMN1; SMN2 (0.41) SMN1; SMN2AKR1B1TP53MAPTNPSR1
SCHEMBL8396278 0.91 AKR1B1 (0.41) SMN1; SMN2AKR1B1TP53POLB
SCHEMBL8395199 0.91 SMN1; SMN2 (0.43) SMN1; SMN2AKR1B1MEN1KMT2ATDP1
SCHEMBL8397933 0.89 SMN1; SMN2 (0.39) SMN1; SMN2AKR1B1MEN1KMT2ATDP1
SCHEMBL8395933 0.89 SMN1; SMN2 (0.51) SMN1; SMN2AKR1B1MEN1KMT2ATDP1
SCHEMBL8400237 0.89 AKR1B1 (0.40) AKR1B1TP53POLBMEN1KMT2A
SCHEMBL8395400 0.88 SMN1; SMN2 (0.39) SMN1; SMN2AKR1B1TP53MEN1KMT2A
SCHEMBL8399094 0.88 SMN1; SMN2 (0.39) SMN1; SMN2AKR1B1MEN1KMT2AMAPT
SCHEMBL8399296 0.88 SMN1; SMN2 (0.38) SMN1; SMN2AKR1B1MEN1KMT2ATDP1
SCHEMBL8399099 0.86 SMN1; SMN2 (0.39) SMN1; SMN2TP53POLBMEN1KMT2A

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