SCHEMBL903016

SCHEMBL903016

c1ccc(Cn2cc(-c3cccs3)s/c2=N/c2ccccc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.40
KDM4E B2RXH2 5/20 0.40
GAA P10253 3/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
CYP2D6 P10635 1/20 0.40
KMT2A Q03164 3/20 0.40
NPSR1 Q6W5P4 2/20 0.39
USP2 O75604 2/20 0.39
HSD17B10 Q99714 2/20 0.39
LMNA P02545 2/20 0.39
HPGD P15428 2/20 0.39
GLA P06280 1/20 0.39
ATM Q13315 1/20 0.39
MAPT P10636 3/20 0.38
CXCR2 P25025 1/20 0.38
MAPK1 P28482 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 2/20 0.38

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
SCHEMBL899436 0.83 PDE4D (0.39) ALDH1A1KDM4EGAANPSR1LMNA
SCHEMBL899381 0.77 MAPT (0.41) ALDH1A1KDM4EGAALMNAHPGD
SCHEMBL899307 0.74 MAPT (0.46) ALDH1A1NPSR1LMNAHPGDMAPT
SCHEMBL899306 0.74 MAPT (0.46) ALDH1A1NPSR1LMNAHPGDMAPT
SCHEMBL898806 0.73 GRM5 (0.34) ALDH1A1KDM4EGAACYP1A2CYP2C9
SCHEMBL898805 0.73 GRM5 (0.34) ALDH1A1KDM4EGAACYP1A2CYP2C9
SCHEMBL899501 0.72 ALDH1A1 (0.43) ALDH1A1KDM4ELMNAMAPTMAPK1
SCHEMBL899502 0.72 ALDH1A1 (0.43) ALDH1A1KDM4ELMNAMAPTMAPK1
SCHEMBL898781 0.72 ROCK2 (0.41) NPSR1LMNAMAPK1SMN1; SMN2
SCHEMBL898780 0.72 ROCK2 (0.41) NPSR1LMNAMAPK1SMN1; SMN2

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
WO-2012040754-A2 NOVEL THIAZOLAMINE DERIVATES AS DIFFERENTIATION ACCELERATORS TECHNISCHE UNIVERSITÄT WIEN (AT) 2012-04-05 WO disclosed