SCHEMBL5596500

SCHEMBL5596500

[c]1nc(NCCc2c[nH]c3ccccc23)ncc1-c1nc2ccccc2s1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ILK Q13418 1/20 0.58
KMT2A Q03164 2/20 0.50
POLB P06746 1/20 0.50
SLC2A1 P11166 1/20 0.50
RAD52 P43351 1/20 0.50
MKNK1 Q9BUB5 3/20 0.49
MKNK2 Q9HBH9 3/20 0.49
HDAC3 O15379 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
CCNT1 O60563 1/20 0.46
CCNA2 P20248 1/20 0.46
CDK2 P24941 1/20 0.46
CDK9 P50750 1/20 0.46
EIF2AK2 P19525 3/20 0.45
HTR1A P08908 4/20 0.45
DRD2 P14416 4/20 0.45
HTR2A P28223 4/20 0.45
HTR7 P34969 4/20 0.45

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
SCHEMBL5596495 0.81 LTA4H (0.39) ILKKMT2APOLBHDAC1MEN1
SCHEMBL5596256 0.80 NPC1 (0.54) ILKKMT2AHDAC3HDAC1HDAC2
SCHEMBL5596942 0.77 ILK (0.51) ILKKMT2APOLBRAD52MEN1
SCHEMBL5596592 0.77 RAB9A (0.36) ILK
SCHEMBL5596937 0.77 ILK (0.53) ILKPOLB
SCHEMBL5596939 0.77 NPC1 (0.44) ILKKMT2AMKNK1MKNK2MEN1
SCHEMBL5596418 0.77 NPC1 (0.44) ILKKMT2APOLBMEN1GBA1
SCHEMBL5596674 0.77 NPC1 (0.44) ILKKMT2AHTR7
SCHEMBL5596406 0.75 ILK (0.51) ILKKMT2APOLBMKNK1MKNK2
SCHEMBL5596261 0.74 ALDH1A1 (0.44) ILKMKNK1MKNK2

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 1 patent. 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