SCHEMBL8396366

SCHEMBL8396366

CCCc1ccc(N(Cc2nc3c(F)c(F)ccc3s2)C(=O)CCC(=O)OCC)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.39
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35
CYP4Z1 Q86W10 3/20 0.34
P2RX3 P56373 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
LTB4R2 Q9NPC1 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
AKR1B1 P15121 1/20 0.33
CYP4F11 Q9HBI6 1/20 0.33
CYP4F12 Q9HCS2 1/20 0.33
MAPT P10636 2/20 0.33
TP53 P04637 1/20 0.33
LMNA P02545 1/20 0.32
NPC1 O15118 1/20 0.32
PKM P14618 1/20 0.32
NFKB1 P19838 1/20 0.32
RAB9A P51151 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
SCHEMBL8395772 0.92 SMN1; SMN2 (0.41) SMN1; SMN2L3MBTL1LTB4R2MEN1KMT2A
SCHEMBL8397851 0.92 SMN1; SMN2 (0.44) SMN1; SMN2P2RX3L3MBTL1LTB4R2MEN1
SCHEMBL8398980 0.91 SMN1; SMN2 (0.41) SMN1; SMN2P2RX3L3MBTL1MEN1KMT2A
SCHEMBL8399027 0.90 SMN1; SMN2 (0.40) SMN1; SMN2L3MBTL1MEN1KMT2ATDP1
SCHEMBL8396397 0.90 AKR1B1 (0.38) SMN1; SMN2L3MBTL1LTB4R2AKR1B1MAPT
SCHEMBL8399202 0.90 SMN1; SMN2 (0.52) SMN1; SMN2L3MBTL1MEN1KMT2ATDP1
SCHEMBL8395487 0.89 SMN1; SMN2 (0.39) SMN1; SMN2LTB4R2MEN1KMT2AAKR1B1
SCHEMBL8398989 0.88 SMN1; SMN2 (0.38) SMN1; SMN2L3MBTL1LTB4R2MEN1KMT2A
SCHEMBL8399711 0.88 SMN1; SMN2 (0.39) SMN1; SMN2L3MBTL1MEN1KMT2ATDP1
SCHEMBL8395482 0.88 SMN1; SMN2 (0.39) SMN1; SMN2L3MBTL1MEN1KMT2ATDP1

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