SCHEMBL3170296

SCHEMBL3170296

NC(=O)c1nc2c(s1)CCCC2C(=O)N1CCN(c2ccccc2F)CC1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.43
MAPK1 P28482 3/20 0.43
USP2 O75604 2/20 0.43
THRB P10828 3/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
POLB P06746 1/20 0.42
KDM4E B2RXH2 2/20 0.42
LMNA P02545 4/20 0.41
TSHR P16473 2/20 0.41
PKM P14618 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ALOX15 P16050 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 2/20 0.40
TP53 P04637 1/20 0.40

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
SCHEMBL3170303 0.88 SMN1; SMN2 (0.45) SMN1; SMN2MAPK1USP2THRBMEN1
SCHEMBL3157437 0.88 GRM5 (0.41) SMN1; SMN2KDM4ETSHRALOX15ALDH1A1
SCHEMBL3165721 0.84 DHODH (0.43) MEN1KMT2APOLBKDM4ELMNA
SCHEMBL3163988 0.83 KDM4E (0.48) SMN1; SMN2MAPK1MEN1KMT2APOLB
SCHEMBL3167878 0.79 POLB (0.38) POLBLMNATSHRMAPT
SCHEMBL3156915 0.79 MAPT (0.51) SMN1; SMN2MEN1KMT2APOLBKDM4E
SCHEMBL3157536 0.78 CHRM3 (0.43) MEN1KMT2AKDM4ETSHRNPSR1
SCHEMBL3170897 0.77 GRM5 (0.42) SMN1; SMN2TSHRALOX15ALDH1A1
SCHEMBL4802865 0.77 DRD2 (0.49) SMN1; SMN2MEN1KMT2AKDM4ELMNA
SCHEMBL3163748 0.74 KMT2A (0.46) SMN1; SMN2MAPK1MEN1KMT2APOLB

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
EP-1716128-B1 SUBSTITUTED 4,5,6,7-TETRAHYDRO-BENZOTHIAZOL-2-YLAMINE COMPOUNDS GRUENENTHAL GMBH (DE) 2010-03-31 EP claimed
JP-2007522171-A 2007-08-09 JP claimed
EP-1716128-A1 SUBSTITUTED 4,5,6,7-TETRAHYDRO-BENZOTHIAZOL-2-YLAMINE COMPOUNDS Grünenthal GmbH (DE) 2006-11-02 EP claimed
WO-2005077924-A1 SUBSTITUTED 4,5,6,7-TETRAHYDRO-BENZOTHIAZOL-2-YLAMINE COMPOUNDS Grünenthal GmbH (DE) 2005-08-25 WO claimed
EP-1716128-B1 SUBSTITUTED 4,5,6,7-TETRAHYDRO-BENZOTHIAZOL-2-YLAMINE COMPOUNDS GRUENENTHAL GMBH (DE) 2010-03-31 EP disclosed
EP-1716128-A1 SUBSTITUTED 4,5,6,7-TETRAHYDRO-BENZOTHIAZOL-2-YLAMINE COMPOUNDS Grünenthal GmbH (DE) 2006-11-02 EP disclosed
WO-2005077924-A1 SUBSTITUTED 4,5,6,7-TETRAHYDRO-BENZOTHIAZOL-2-YLAMINE COMPOUNDS Grünenthal GmbH (DE) 2005-08-25 WO disclosed