SCHEMBL8395199

SCHEMBL8395199

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

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.43
AKR1B1 P15121 6/20 0.38
P2RX3 P56373 3/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
MAPT P10636 2/20 0.33
KDM4E B2RXH2 1/20 0.33
GLA P06280 1/20 0.33
HPGD P15428 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
NPC1 O15118 1/20 0.32
TSHR P16473 1/20 0.32
NFKB1 P19838 1/20 0.32
RAB9A P51151 1/20 0.32
HBB P68871 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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 0.95 SMN1; SMN2 (0.41) SMN1; SMN2AKR1B1MAPTKDM4EGLA
SCHEMBL8397933 0.93 SMN1; SMN2 (0.39) SMN1; SMN2AKR1B1MEN1KMT2AMAPT
SCHEMBL8396278 0.93 AKR1B1 (0.41) SMN1; SMN2AKR1B1P2RX3NPC1TSHR
SCHEMBL8395933 0.92 SMN1; SMN2 (0.51) SMN1; SMN2AKR1B1MEN1KMT2AMAPT
SCHEMBL8399094 0.92 SMN1; SMN2 (0.39) SMN1; SMN2AKR1B1MEN1KMT2AMAPT
SCHEMBL8395400 0.92 SMN1; SMN2 (0.39) SMN1; SMN2AKR1B1P2RX3MEN1KMT2A
SCHEMBL8399296 0.91 SMN1; SMN2 (0.38) SMN1; SMN2AKR1B1MEN1KMT2AMAPT
SCHEMBL8401802 0.91 SMN1; SMN2 (0.38) SMN1; SMN2AKR1B1MEN1KMT2AMAPT
SCHEMBL8399130 0.90 SMN1; SMN2 (0.41) SMN1; SMN2AKR1B1MEN1KMT2AMAPT
SCHEMBL8396400 0.89 MEN1 (0.38) SMN1; SMN2AKR1B1MEN1KMT2AMAPT

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