SCHEMBL11545867

SCHEMBL11545867

CNC(=S)Nc1ccc(Nc2ccccc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 10/20 1.00
MAPT P10636 8/20 1.00
SMN1; SMN2 Q16637 4/20 1.00
CYP1A2 P05177 3/20 1.00
CYP2C19 P33261 3/20 1.00
CYP2C9 P11712 2/20 1.00
KMT2A Q03164 7/20 0.66
ALDH1A1 P00352 6/20 0.66
MEN1 O00255 6/20 0.66
ALOX12 P18054 2/20 0.66
CYP3A4 P08684 2/20 0.66
HPGD P15428 2/20 0.66
CYP2D6 P10635 1/20 0.66
L3MBTL1 Q9Y468 1/20 0.66
TAS2R38 P59533 1/20 0.61
HSD17B10 Q99714 1/20 0.61
RAB9A P51151 2/20 0.60
NPC1 O15118 1/20 0.57
NOX1 Q9Y5S8 1/20 0.57
LMNA P02545 4/20 0.57

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
SCHEMBL23812525 0.92 GAA (0.84) GAAMAPTSMN1; SMN2CYP1A2CYP2C19
SCHEMBL1276402 0.92 GAA (0.84) GAAMAPTSMN1; SMN2CYP1A2CYP2C19
SCHEMBL9243020 0.87 ALDH1A1 (0.81) GAAMAPTSMN1; SMN2CYP1A2CYP2C19
SCHEMBL11684405 0.85 ALDH1A1 (0.77) GAAMAPTSMN1; SMN2CYP1A2CYP2C19
SCHEMBL11546140 0.84 GAA (0.72) GAAMAPTSMN1; SMN2CYP1A2CYP2C19
SCHEMBL8956322 0.80 ALDH1A1 (0.94) GAAMAPTSMN1; SMN2CYP1A2CYP2C19
SCHEMBL11828149 0.79 MAPT (0.73) GAAMAPTSMN1; SMN2CYP1A2CYP2C19
SCHEMBL132620 0.78 ALDH1A1 (1.00) GAAMAPTCYP1A2CYP2C19KMT2A
SCHEMBL2590098 0.77 CYP1A2 (0.64) GAAMAPTSMN1; SMN2CYP1A2CYP2C19
SCHEMBL11550071 0.77 MAPT (0.67) GAAMAPTSMN1; SMN2CYP1A2CYP2C19

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
US-4148799-A Process for the preparation of 2-aryliminothiazoline solutions BAYER AKTIENGESELLSCHAFT (DE) 1979-04-10 US disclosed