SCHEMBL899406

SCHEMBL899406

c1csc(Nc2ccc(N3CCOCC3)cc2)n1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 7/20 0.67
CYP1A2 P05177 7/20 0.67
CYP1B1 Q16678 7/20 0.67
MAPT P10636 3/20 0.57
NPC1 O15118 1/20 0.57
POLB P06746 1/20 0.57
RAB9A P51151 1/20 0.57
ALOX5 P09917 1/20 0.52
SYK P43405 2/20 0.49
PIK3R1 P27986 1/20 0.49
PIK3CA P42336 1/20 0.49
MTOR P42345 1/20 0.49
PLK4 O00444 1/20 0.49
TP53 P04637 1/20 0.49
MAPK1 P28482 1/20 0.49
JAK2 O60674 1/20 0.48
ALDH1A1 P00352 1/20 0.48
KDM1A O60341 1/20 0.47
EGFR P00533 1/20 0.47
MAPK10 P53779 1/20 0.46

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
SCHEMBL29654046 0.81 CYP1B1 (1.00) CYP1A1CYP1A2CYP1B1ALOX5
SCHEMBL9381614 0.81 RAB9A (0.65) CYP1A1CYP1A2CYP1B1MAPTNPC1
Water SCHEMBL9387383 0.80 RAB9A (0.64) CYP1A1CYP1A2CYP1B1MAPTNPC1
SCHEMBL30855003 0.79 MAPT (0.56) CYP1A1CYP1A2CYP1B1MAPTNPC1
SCHEMBL31231876 0.78 CYP1A2 (0.44) CYP1A1CYP1A2CYP1B1MAPTNPC1
SCHEMBL7980595 0.77 MAPT (0.62) CYP1A2MAPTNPC1POLBRAB9A
SCHEMBL2931477 0.77 CBFB (0.51) CYP1A1CYP1A2CYP1B1MAPTNPC1
SCHEMBL29972048 0.75 PLK4 (0.68) MAPTSYKPLK4TP53MAPK1
SCHEMBL30854958 0.74 MAPT (0.65) CYP1A1CYP1A2CYP1B1MAPTNPC1
SCHEMBL15545775 0.74 CYP1A2 (0.57) CYP1A1CYP1A2CYP1B1MAPTNPC1

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