SCHEMBL8400255

SCHEMBL8400255

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.39
P2RX3 P56373 4/20 0.35
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35
NPC1 O15118 2/20 0.35
AKR1B1 P15121 1/20 0.33
CYP4Z1 Q86W10 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
PKM P14618 1/20 0.32
NFKB1 P19838 1/20 0.32
RAB9A P51151 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
MAPT P10636 2/20 0.32
POLB P06746 1/20 0.32
CYP4F11 Q9HBI6 1/20 0.31
CYP4F12 Q9HCS2 1/20 0.31
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
SCHEMBL8400414 0.92 SMN1; SMN2 (0.41) SMN1; SMN2P2RX3NPC1AKR1B1MEN1
SCHEMBL8398032 0.92 SMN1; SMN2 (0.44) SMN1; SMN2P2RX3NPC1AKR1B1MEN1
SCHEMBL8396376 0.90 SMN1; SMN2 (0.40) SMN1; SMN2NPC1AKR1B1MEN1KMT2A
SCHEMBL8397981 0.90 SMN1; SMN2 (0.40) SMN1; SMN2NPC1AKR1B1MEN1KMT2A
SCHEMBL8396242 0.90 SMN1; SMN2 (0.52) SMN1; SMN2NPC1AKR1B1MEN1KMT2A
SCHEMBL8397105 0.90 AKR1B1 (0.38) SMN1; SMN2NPC1AKR1B1MEN1KMT2A
SCHEMBL8395662 0.89 SMN1; SMN2 (0.39) SMN1; SMN2MEN1KMT2AMAPTPOLB
SCHEMBL8396653 0.89 SMN1; SMN2 (0.39) SMN1; SMN2NPC1AKR1B1MEN1KMT2A
SCHEMBL8399636 0.88 SMN1; SMN2 (0.38) SMN1; SMN2P2RX3NPC1AKR1B1L3MBTL1
SCHEMBL8398087 0.88 SMN1; SMN2 (0.39) SMN1; SMN2NPC1AKR1B1MEN1KMT2A

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