SCHEMBL8400340

SCHEMBL8400340

O=C(O)CCC(=O)N(Cc1nc2c(F)c(F)ccc2s1)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 3/20 0.46
LMNA P02545 2/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
TP53 P04637 1/20 0.36
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
AKR1A1 P14550 2/20 0.35
MAPT P10636 1/20 0.35
ALOX15 P16050 1/20 0.35
HTT P42858 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
SCHEMBL8395254 0.92 AKR1B1 (0.41) AKR1B1LMNAMAPT
SCHEMBL8397960 0.91 AKR1B1 (0.41) AKR1B1AKR1A1MAPT
SCHEMBL8399142 0.91 AKR1B1 (0.41) AKR1B1LMNA
SCHEMBL8399205 0.90 AKR1B1 (0.40) AKR1B1LMNATP53POLBAKR1A1
SCHEMBL8396280 0.90 AKR1B1 (0.40) AKR1B1SMN1; SMN2AKR1A1MAPT
SCHEMBL8518906 0.90 AKR1B1 (0.40) AKR1B1
SCHEMBL8395838 0.89 AKR1B1 (0.45) AKR1B1LMNATP53POLBSMN1; SMN2
SCHEMBL8400418 0.89 RAB9A (0.40) AKR1B1HTT
SCHEMBL8395521 0.89 AKR1B1 (0.40) AKR1B1LMNATP53POLBAKR1A1
SCHEMBL8400726 0.88 AKR1B1 (0.38) AKR1B1LMNATP53POLBSMN1; SMN2

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