SCHEMBL5596745

SCHEMBL5596745

FC(F)(F)c1cccnc1NCCNc1n[c]ccn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.45
DPP4 P27487 1/20 0.39
ALDH1A1 P00352 2/20 0.39
CYP3A4 P08684 2/20 0.36
MAPT P10636 2/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2C19 P33261 2/20 0.36
NPC1 O15118 1/20 0.36
CYP2D6 P10635 1/20 0.36
CASP3 P42574 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
CDC7 O00311 1/20 0.33
MAP4K4 O95819 1/20 0.33
PIM1 P11309 1/20 0.33
PRKACA P17612 1/20 0.33
CDK2 P24941 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
SCHEMBL25057040 0.76 POLB (0.54) POLBDPP4ALDH1A1CYP3A4MAPT
SCHEMBL8131100 0.74 POLB (0.49) POLBDPP4ALDH1A1CYP3A4MAPT
SCHEMBL13536868 0.74 POLB (0.52) POLBDPP4ALDH1A1CYP3A4KDM4E
SCHEMBL2883964 0.72 POLB (0.43) POLBDPP4ALDH1A1CYP3A4CYP1A2
SCHEMBL6485412 0.70 POLB (0.45) POLBDPP4CYP3A4CYP1A2CYP2C19
SCHEMBL14214497 0.70 POLB (0.48) POLBDPP4CYP3A4CYP1A2CYP2C19
SCHEMBL5606358 0.69 TAAR1 (0.44) ALDH1A1MAPTHDAC6MEN1LMNA
SCHEMBL5596661 0.68 CYP1A2 (0.55) ALDH1A1CYP1A2CYP2C19NPC1CYP2D6
SCHEMBL7108594 0.68 F2 (0.38) SMN1; SMN2L3MBTL1
SCHEMBL1633551 0.68 CYP1A2 (0.48) POLBDPP4ALDH1A1CYP3A4CYP1A2

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-1696909-B1 BENZOTHIAZOLE DERIVATIVES FOR THE TREATMENT OF DIABETES SERONO LAB (CH) 2007-11-14 EP claimed
EP-1240164-A1 BENZAZOLE DERIVATIVES AND THEIR USE AS JNK MODULATORS Applied Research Systems ARS Holding N.V. (AN) 2002-09-18 EP disclosed
WO-2001047920-A1 BENZAZOLE DERIVATIVES AND THEIR USE AS JNK MODULATORS APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2001-07-05 WO disclosed