SCHEMBL8397106

SCHEMBL8397106

CCOC(=O)CCC(=O)N(Cc1nc2c(Cl)c(Cl)ccc2s1)c1cccc(CC)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
JAK2 O60674 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HTT P42858 1/20 0.35
PAX8 Q06710 1/20 0.35
AKR1B1 P15121 1/20 0.34
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
CDC7 O00311 1/20 0.33
DBF4 Q9UBU7 1/20 0.33
P2RX3 P56373 1/20 0.33
LMNA P02545 1/20 0.33
MAOB P27338 1/20 0.33
ATM Q13315 1/20 0.33
SIGMAR1 Q99720 3/20 0.32
PKM P14618 1/20 0.32
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 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
SCHEMBL8398045 0.92 SMN1; SMN2 (0.42) SMN1; SMN2NPC1RAB9AJAK2ALDH1A1
SCHEMBL8400310 0.91 SMN1; SMN2 (0.41) SMN1; SMN2NPC1ALDH1A1AKR1B1LMNA
SCHEMBL8395578 0.90 AKR1B1 (0.39) NPC1RAB9AJAK2ALDH1A1HTT
SCHEMBL8399196 0.90 SMN1; SMN2 (0.40) SMN1; SMN2NPC1ALDH1A1AKR1B1KMT2A
SCHEMBL8396319 0.90 SMN1; SMN2 (0.40) SMN1; SMN2NPC1RAB9AJAK2ALDH1A1
SCHEMBL8396242 0.89 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9AAKR1B1KMT2A
SCHEMBL8398046 0.89 SMN1; SMN2 (0.39) SMN1; SMN2NPC1RAB9AALDH1A1KMT2A
SCHEMBL8398973 0.89 SMN1; SMN2 (0.39) SMN1; SMN2HTTAKR1B1LMNAMAOB
SCHEMBL8399715 0.88 SMN1; SMN2 (0.39) SMN1; SMN2NPC1RAB9AJAK2ALDH1A1
SCHEMBL8398030 0.87 SMN1; SMN2 (0.38) SMN1; SMN2NPC1RAB9AJAK2ALDH1A1

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