SCHEMBL4186367

SCHEMBL4186367

N#CCC1C=CN=C(NCCCO)N1c1nc2ccccc2s1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ILK Q13418 2/20 0.37
MAPK9 P45984 1/20 0.34
MAPK10 P53779 1/20 0.34
POLB P06746 1/20 0.33
RAD52 P43351 1/20 0.33
GPR39 O43194 1/20 0.33
MAPT P10636 3/20 0.33
LMNA P02545 2/20 0.33
DPP4 P27487 3/20 0.33
ALDH1A1 P00352 4/20 0.32
GAA P10253 2/20 0.32
HPGD P15428 2/20 0.32
KDM4E B2RXH2 1/20 0.32
GLA P06280 1/20 0.32
ATM Q13315 1/20 0.32
DPP8 Q6V1X1 2/20 0.32
DPP7 Q9UHL4 2/20 0.32
HTT P42858 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
XBP1 P17861 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
SCHEMBL4192273 0.94 MAPK9 (0.39) ILKMAPK9MAPK10POLBMAPT
SCHEMBL4197304 0.90 ILK (0.40) ILKPOLBRAD52MAPTLMNA
SCHEMBL4187924 0.88 RAB9A (0.36) POLBMAPTLMNADPP4ALDH1A1
SCHEMBL4192472 0.86 NPC1 (0.46) MAPK9MAPK10MAPTLMNAALDH1A1
Acetonitrile SCHEMBL7707679 0.86 RAB9A (0.35) POLBMAPTLMNADPP4ALDH1A1
SCHEMBL6828604 0.86 IDO1 (0.37) POLBMAPTLMNADPP4ALDH1A1
SCHEMBL4187935 0.86 ILK (0.38) ILKPOLBRAD52LMNAALDH1A1
SCHEMBL4197422 0.86 SMN1; SMN2 (0.41) ILKPOLBMAPTLMNAALDH1A1
SCHEMBL7704544 0.85 ILK (0.41) ILKMAPTLMNAALDH1A1GAA
SCHEMBL4197516 0.85 IRAK4 (0.39) POLBRAD52GAA

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-2026802-A2 JNK INHIBITORS FOR TREATMENT OF SKIN DISEASES Laboratoires Serono SA (CH) 2009-02-25 EP disclosed
WO-2007141224-A2 JNK INHIBITORS FOR TREATMENT OF SKIN DISEASES LABORATOIRES SERONO SA (CH) 2007-12-13 WO disclosed
EP-1696909-A1 BENZOTHIAZOLE DERIVATIVES FOR THE TREATMENT OF DIABETES Applied Research Systems ARS Holding N.V. (AN) 2006-09-06 EP disclosed
WO-2005025567-A1 BENZOTHIAZOLE DERIVATIVES FOR THE TREATMENT OF DIABETES APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2005-03-24 WO disclosed