SCHEMBL5596259

SCHEMBL5596259

[c]1ccnc(N2CCN(c3ncccn3)CC2)n1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.50
MAPT P10636 2/20 0.50
KDM4E B2RXH2 5/20 0.47
ALDH1A1 P00352 1/20 0.47
GAA P10253 1/20 0.44
HTT P42858 1/20 0.44
CYP2C19 P33261 1/20 0.44
USP2 O75604 1/20 0.43
POLB P06746 1/20 0.43
KMT2A Q03164 3/20 0.42
RAB9A P51151 3/20 0.42
MEN1 O00255 2/20 0.41
NPC1 O15118 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL3513447 0.86 KDM4E (0.36) LMNAMAPTKDM4EALDH1A1GAA
SCHEMBL5597094 0.85 HTR3A (0.42) GAAKMT2AMEN1
SCHEMBL2322094 0.84 CCNT1 (0.35) LMNAMAPTKDM4EALDH1A1GAA
SCHEMBL5801122 0.84 MAPT (0.66) LMNAMAPTALDH1A1GAAHTT
SCHEMBL11101846 0.81 ACHE (0.38) LMNAMAPTKDM4EALDH1A1CYP2C19
SCHEMBL1466733 0.81 ALDH1A1 (0.58) KDM4EALDH1A1USP2SMN1; SMN2CYP3A4
SCHEMBL1110443 0.81 POLB (0.41) LMNAKDM4EALDH1A1GAAHTT
SCHEMBL6293414 0.80 CHRNA7 (0.40) MAPTKDM4EGAAKMT2AMEN1
SCHEMBL6294824 0.80 ACHE (0.43) LMNAMAPTKDM4EALDH1A1
SCHEMBL5597102 0.80 KDM1A (0.41) KDM4EHTTKMT2AMEN1

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 4 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-1450792-B1 BENZAZOLE DERIVATIVES FOR THE TREATMENT OF SCLERODERMA APPLIED RESEARCH SYSTEMS (AN) 2006-09-27 EP disclosed
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