SCHEMBL8400332

SCHEMBL8400332

Cc1cccc(N(Cc2nc3c(Cl)c(Cl)ccc3s2)C(=O)CCC(=O)O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.43
PAX8 Q06710 3/20 0.43
NPC1 O15118 2/20 0.43
ALDH1A1 P00352 2/20 0.43
JAK2 O60674 1/20 0.43
HTT P42858 1/20 0.43
AKR1B1 P15121 1/20 0.40
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
RXRG P48443 1/20 0.39
LTB4R2 Q9NPC1 1/20 0.38
KMT2A Q03164 5/20 0.38
MEN1 O00255 4/20 0.38
MAPT P10636 1/20 0.37
THRB P10828 1/20 0.37
POLQ O75417 2/20 0.35
ABL1 P00519 1/20 0.35
RIN1 Q13671 1/20 0.35
TP53 P04637 1/20 0.35
GPX4 P36969 1/20 0.35

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
SCHEMBL8400428 0.91 AKR1B1 (0.41) RAB9APAX8NPC1ALDH1A1JAK2
SCHEMBL8398067 0.90 AKR1B1 (0.46) RAB9APAX8NPC1ALDH1A1HTT
SCHEMBL8395578 0.90 AKR1B1 (0.39) RAB9APAX8NPC1ALDH1A1JAK2
SCHEMBL8398045 0.90 SMN1; SMN2 (0.42) RAB9APAX8NPC1ALDH1A1JAK2
SCHEMBL8397855 0.89 AKR1B1 (0.40) RAB9APAX8NPC1ALDH1A1JAK2
SCHEMBL8396282 0.89 AKR1B1 (0.40) NPC1AKR1B1LTB4R2KMT2AMEN1
SCHEMBL8399147 0.89 MTNR1A (0.39) RAB9ANPC1AKR1B1KMT2AMAPT
SCHEMBL8396288 0.89 AKR1B1 (0.38) RAB9APAX8NPC1ALDH1A1JAK2
SCHEMBL8398966 0.88 AKR1B1 (0.38) PAX8ALDH1A1HTTAKR1B1RXRA
SCHEMBL8395876 0.87 AKR1B1 (0.37) RAB9APAX8NPC1ALDH1A1JAK2

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