SCHEMBL8401608

SCHEMBL8401608

O=C(O)CCC(=O)N(Cc1nc2c(F)c(F)ccc2s1)c1ccccc1Cl

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 3/20 0.43
LMNA P02545 4/20 0.36
HDAC6 Q9UBN7 1/20 0.35
TP53 P04637 2/20 0.35
MAPT P10636 1/20 0.35
FDFT1 P37268 1/20 0.34
POLB P06746 1/20 0.34
AKR1A1 P14550 1/20 0.33

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
SCHEMBL8395838 0.91 AKR1B1 (0.45) AKR1B1LMNATP53MAPTPOLB
SCHEMBL8398015 0.88 AKR1B1 (0.43) AKR1B1LMNATP53MAPTPOLB
SCHEMBL8397050 0.88 AKR1B1 (0.43) AKR1B1LMNATP53MAPTPOLB
SCHEMBL8399175 0.88 SMN1; SMN2 (0.39) AKR1B1LMNATP53MAPT
SCHEMBL8396244 0.87 AKR1B1 (0.45) AKR1B1LMNAHDAC6TP53MAPT
SCHEMBL8400340 0.86 AKR1B1 (0.46) AKR1B1LMNATP53MAPTPOLB
SCHEMBL8396110 0.85 AKR1B1 (0.41) AKR1B1
SCHEMBL8397717 0.85 AKR1B1 (0.41) AKR1B1LMNATP53MAPTPOLB
SCHEMBL8399220 0.85 AKR1A1 (0.48) AKR1B1AKR1A1
SCHEMBL8397960 0.85 AKR1B1 (0.41) AKR1B1HDAC6MAPTAKR1A1

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