SCHEMBL8399294

SCHEMBL8399294

Cc1sccc1NCc1nc2cc(F)cc(F)c2s1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 6/20 0.39
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31
PDE3B Q13370 1/20 0.31
PDE3A Q14432 1/20 0.31

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
SCHEMBL8397947 0.81 PDE4A (0.31) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL8396268 0.81 AKR1B1 (0.41) AKR1B1ALDH1A1MAPT
SCHEMBL8395826 0.81 AKR1B1 (0.41) AKR1B1
SCHEMBL8395524 0.80 AKR1B1 (0.43) AKR1B1KDM4EALDH1A1MAPT
SCHEMBL8399262 0.79 AKR1B1 (0.40) AKR1B1KDM4EALDH1A1MAPT
SCHEMBL8396103 0.78 AKR1B1 (0.41) AKR1B1KDM4EALDH1A1MAPT
SCHEMBL8399286 0.77 AKR1B1 (0.39) AKR1B1KDM4EALDH1A1MAPT
SCHEMBL8395489 0.77 AKR1B1 (0.39) AKR1B1KDM4EALDH1A1MAPT
SCHEMBL8395800 0.77 AKR1B1 (0.41) AKR1B1
SCHEMBL8399103 0.76 L3MBTL1 (0.43) AKR1B1KDM4EALDH1A1MAPT

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