SCHEMBL8400724

SCHEMBL8400724

CCCc1csc(N(Cc2nc3c(F)c(F)ccc3s2)C(=O)CCC(=O)OCC)c1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.33
P2RX3 P56373 1/20 0.32
AKR1B1 P15121 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
LMNA P02545 1/20 0.31
ALDH1A1 P00352 1/20 0.30
HK1 P19367 1/20 0.30
HKDC1 Q2TB90 1/20 0.30
NPC1 O15118 1/20 0.30
PKM P14618 1/20 0.30
NFKB1 P19838 1/20 0.30
RAB9A P51151 1/20 0.30
NFKB2 Q00653 1/20 0.30
RELA Q04206 1/20 0.30
GAA P10253 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
SCHEMBL8399252 0.90 AKR1B1 (0.36) SMN1; SMN2AKR1B1LMNAGAA
SCHEMBL8395485 0.90 SMN1; SMN2 (0.34) SMN1; SMN2AKR1B1L3MBTL1MEN1KMT2A
SCHEMBL8396070 0.87
SCHEMBL8396628 0.86 P2RX3 (0.34) SMN1; SMN2P2RX3L3MBTL1MEN1KMT2A
SCHEMBL8395432 0.86 P2RX3 (0.34) SMN1; SMN2P2RX3AKR1B1L3MBTL1MEN1
SCHEMBL8396366 0.86 SMN1; SMN2 (0.39) SMN1; SMN2P2RX3AKR1B1L3MBTL1MEN1
SCHEMBL8397851 0.81 SMN1; SMN2 (0.44) SMN1; SMN2P2RX3AKR1B1L3MBTL1MEN1
SCHEMBL8399202 0.81 SMN1; SMN2 (0.52) SMN1; SMN2AKR1B1L3MBTL1MEN1KMT2A
SCHEMBL8395772 0.81 SMN1; SMN2 (0.41) SMN1; SMN2AKR1B1L3MBTL1MEN1KMT2A
SCHEMBL8399084 0.80 SMN1; SMN2 (0.35) SMN1; SMN2AKR1B1L3MBTL1MEN1KMT2A

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