SCHEMBL8398137

SCHEMBL8398137

Cc1cccc(N(Cc2nc3ccc(F)c(F)c3s2)C(=O)CCC(=O)O)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.40
ALDH1A1 P00352 2/20 0.40
NPC1 O15118 1/20 0.40
JAK2 O60674 1/20 0.40
HTT P42858 1/20 0.40
PAX8 Q06710 1/20 0.40
MAPT P10636 2/20 0.39
THRB P10828 1/20 0.39
LTB4R2 Q9NPC1 1/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
AKR1B1 P15121 1/20 0.35
F2 P00734 2/20 0.35
TP53 P04637 2/20 0.35
POLB P06746 2/20 0.35
LMNA P02545 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
POLQ O75417 1/20 0.34
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34

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
SCHEMBL8399085 0.90 LTB4R2 (0.40) NPC1LTB4R2KMT2AMEN1TP53
SCHEMBL8396324 0.90 SMN1; SMN2 (0.41) RAB9AALDH1A1NPC1JAK2HTT
SCHEMBL8399483 0.89 HDAC6 (0.39) RAB9AALDH1A1NPC1HTTMAPT
SCHEMBL8395274 0.89 AKR1B1 (0.37) RAB9AALDH1A1NPC1HTTPAX8
SCHEMBL8399115 0.89 MTNR1A (0.40) RAB9ANPC1LTB4R2KMT2AF2
SCHEMBL8396071 0.89 LTB4R2 (0.36) RAB9ALTB4R2TP53LMNA
SCHEMBL8396627 0.89 RXRA (0.34) HTTMAPTLTB4R2KMT2AAKR1B1
SCHEMBL8399708 0.88 AKR1B1 (0.35) MAPTLTB4R2KMT2AAKR1B1TP53
SCHEMBL8395207 0.88 LTB4R2 (0.39) RAB9AALDH1A1NPC1HTTMAPT
SCHEMBL8399338 0.88 STK17B (0.35) LTB4R2AKR1B1

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