SCHEMBL4198007

SCHEMBL4198007

CN1CCN(C2=NC=CC(CC#N)N2c2nc3ccccc3s2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 12/20 0.42
NPC1 O15118 10/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2D6 P10635 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
POLB P06746 2/20 0.42
MAPT P10636 2/20 0.39
LMNA P02545 1/20 0.39
DRD4 P21917 1/20 0.39
GRM2 Q14416 1/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
TSHR P16473 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CYP3A4 P08684 1/20 0.37
USP2 O75604 1/20 0.37
GAA P10253 1/20 0.37
TP53 P04637 1/20 0.37

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
SCHEMBL4199975 0.91 NPC1 (0.40) RAB9ANPC1SMN1; SMN2CYP1A2CYP2D6
SCHEMBL6828236 0.91 MEN1 (0.39) RAB9ANPC1SMN1; SMN2CYP1A2CYP2D6
SCHEMBL4199997 0.89 HTR1A (0.42) RAB9ANPC1SMN1; SMN2CYP1A2CYP2D6
SCHEMBL4197211 0.88 SCN4A (0.38) RAB9ANPC1SMN1; SMN2CYP1A2CYP2D6
SCHEMBL4197998 0.88 NPC1 (0.53) RAB9ANPC1SMN1; SMN2CYP1A2CYP2D6
SCHEMBL4195581 0.88 USP2 (0.52) RAB9ANPC1SMN1; SMN2CYP1A2CYP2D6
SCHEMBL4195517 0.87 DPP4 (0.40) RAB9ANPC1SMN1; SMN2CYP1A2CYP2D6
SCHEMBL4197293 0.85 SORD (0.40) RAB9ANPC1SMN1; SMN2CYP1A2CYP2D6
Acetonitrile SCHEMBL6828681 0.84 SORD (0.38) RAB9ANPC1SMN1; SMN2CYP1A2CYP2D6
SCHEMBL4197930 0.84 RAB9A (0.40) RAB9ANPC1SMN1; SMN2CYP1A2CYP2D6

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-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