SCHEMBL8396279

SCHEMBL8396279

COc1ccc(N(Cc2nc3c(Cl)c(Cl)ccc3s2)C(=O)CCC(=O)O)cc1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.40
TSHR P16473 1/20 0.40
RNF4 P78317 1/20 0.39
TP53 P04637 6/20 0.39
LMNA P02545 2/20 0.39
THRB P10828 1/20 0.39
AKR1B1 P15121 1/20 0.38
HDAC1 Q13547 1/20 0.37
SMN1; SMN2 Q16637 6/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 3/20 0.36
LTB4R2 Q9NPC1 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
BCL2A1 Q16548 2/20 0.35
ALDH1A1 P00352 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
SCHEMBL8395662 0.90 SMN1; SMN2 (0.39) RNF4TP53LMNATHRBHDAC1
SCHEMBL8396272 0.89 AKR1B1 (0.40) TP53LMNATHRBAKR1B1SMN1; SMN2
SCHEMBL8395474 0.89 AKR1B1 (0.41) TP53LMNATHRBAKR1B1SMN1; SMN2
SCHEMBL8395425 0.89 LMNA (0.38) TP53LMNAAKR1B1SMN1; SMN2GAA
SCHEMBL8399147 0.89 MTNR1A (0.39) TP53LMNAAKR1B1SMN1; SMN2MAPT
SCHEMBL8398067 0.88 AKR1B1 (0.46) TSHRTP53LMNAAKR1B1SMN1; SMN2
SCHEMBL8397836 0.87 AKR1B1 (0.39) USP2TP53LMNAAKR1B1SMN1; SMN2
SCHEMBL8400258 0.87 AKR1B1 (0.40) LMNAAKR1B1SMN1; SMN2POLBGAA
SCHEMBL8399270 0.87 AKR1B1 (0.40) TSHRLMNAAKR1B1SMN1; SMN2POLB
SCHEMBL8397105 0.86 AKR1B1 (0.38) TP53AKR1B1SMN1; SMN2GAAMAPT

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