SCHEMBL6828604

SCHEMBL6828604

N#CCC1C=CN=C(NN)N1c1nc2ccccc2s1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.37
ALDH1A1 P00352 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
NPC1 O15118 5/20 0.34
RAB9A P51151 5/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2D6 P10635 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
POLB P06746 1/20 0.34
DPP4 P27487 2/20 0.33
LMNA P02545 2/20 0.33
KMT2A Q03164 5/20 0.33
MEN1 O00255 4/20 0.33
KAT2A Q92830 1/20 0.32
KAT2B Q92831 1/20 0.32
MAPK1 P28482 1/20 0.32
UBE2T Q9NPD8 1/20 0.32
ASIC3 Q9UHC3 1/20 0.32

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
SCHEMBL4199489 0.89 KMT2A (0.37) ALDH1A1NPSR1NPC1RAB9ASMN1; SMN2
SCHEMBL4186367 0.86 ILK (0.37) ALDH1A1NPSR1POLBDPP4LMNA
SCHEMBL4192273 0.85 MAPK9 (0.39) IDO1ALDH1A1NPSR1NPC1RAB9A
SCHEMBL4187924 0.85 RAB9A (0.36) ALDH1A1NPSR1NPC1RAB9ASMN1; SMN2
SCHEMBL7706938 0.85 KMT2A (0.37) ALDH1A1NPSR1NPC1RAB9ASMN1; SMN2
Acetonitrile SCHEMBL7707651 0.85 DPP4 (0.36) ALDH1A1NPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL5613994 0.84 NPC1 (0.38) ALDH1A1NPSR1NPC1RAB9ASMN1; SMN2
Acetonitrile SCHEMBL7707679 0.84 RAB9A (0.35) ALDH1A1NPSR1NPC1RAB9ASMN1; SMN2
SCHEMBL4192472 0.84 NPC1 (0.46) IDO1ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL4197422 0.83 SMN1; SMN2 (0.41) ALDH1A1NPC1RAB9ASMN1; SMN2CYP1A2

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-1450792-A1 BENZAZOLE DERIVATIVES FOR THE TREATMENT OF SCLERODERMA Applied Research Systems ARS Holding N.V. (AN) 2004-09-01 EP disclosed
WO-2003047570-A1 BENZAZOLE DERIVATIVES FOR THE TREATMENT OF SCLERODERMA APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2003-06-12 WO 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