SCHEMBL4184088

SCHEMBL4184088

N#CCC1C=CN=C(NCCc2cccc(Cl)c2)N1c1nc2ccccc2s1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 2/20 0.40
MAPT P10636 2/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
LCK P06239 1/20 0.37
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
DRD3 P35462 1/20 0.36
NPY1R P25929 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.34
CCR3 P51677 1/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 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
SCHEMBL4192472 0.91 NPC1 (0.46) MAPTALDH1A1LMNACYP1A2CYP3A4
SCHEMBL4194901 0.91 LTA4H (0.38) MAPTALDH1A1LMNACYP1A2CYP3A4
SCHEMBL4193844 0.90 ALDH1A1 (0.39) MAPTALDH1A1LMNACYP1A2CYP3A4
SCHEMBL4190204 0.88 MAPT (0.37) MAPTLMNACYP1A2CYP3A4CYP2D6
Acetonitrile SCHEMBL7707021 0.88 RAB9A (0.36) CSNK1DMAPTALDH1A1LMNACYP1A2
SCHEMBL1005758 0.86 MAPK8 (0.46) MAPTALDH1A1LMNACYP1A2CYP3A4
SCHEMBL4190183 0.86 MAPT (0.40) MAPTALDH1A1LMNACYP1A2CYP3A4
SCHEMBL7704544 0.86 ILK (0.41) MAPTALDH1A1LMNACYP1A2CYP3A4
SCHEMBL4190281 0.86 ALDH1A1 (0.40) MAPTALDH1A1LMNACYP1A2CYP3A4
SCHEMBL4192264 0.86 LMNA (0.40) MAPTALDH1A1LMNACYP1A2CYP3A4

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2007505083-A 2007-03-08 JP claimed
EP-1696909-A1 BENZOTHIAZOLE DERIVATIVES FOR THE TREATMENT OF DIABETES Applied Research Systems ARS Holding N.V. (AN) 2006-09-06 EP claimed
WO-2005025567-A1 BENZOTHIAZOLE DERIVATIVES FOR THE TREATMENT OF DIABETES APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2005-03-24 WO claimed
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