SCHEMBL11542802

SCHEMBL11542802

CNC(=S)Nc1ccc(OC)cc1Cl

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.57
HPGD P15428 2/20 0.57
MAPT P10636 3/20 0.54
NPSR1 Q6W5P4 1/20 0.54
GAA P10253 4/20 0.50
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
POLB P06746 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
LMNA P02545 1/20 0.46
ALOX12 P18054 1/20 0.46
HTT P42858 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
SCHEMBL5413930 0.83 NPC1 (0.54) ALDH1A1HPGDMAPTNPSR1GAA
SCHEMBL11546965 0.82 ALDH1A1 (0.84) ALDH1A1HPGDMAPTNPSR1GAA
SCHEMBL19957270 0.81 ALDH1A1 (0.63) ALDH1A1HPGDMAPTNPSR1KMT2A
SCHEMBL11606488 0.80 LMNA (0.68) ALDH1A1HPGDMAPTNPSR1GAA
SCHEMBL5450035 0.79 ALDH1A1 (0.67) ALDH1A1HPGDMAPTNPSR1GAA
SCHEMBL5456726 0.78 NPSR1 (0.70) ALDH1A1MAPTNPSR1GAAKMT2A
SCHEMBL5437947 0.77 SLC6A4 (0.44) ALDH1A1HPGDMAPTGAAKMT2A
SCHEMBL7035785 0.77 HSD17B1 (0.56) ALDH1A1MAPTKMT2AMEN1LMNA
SCHEMBL21132969 0.77 LMNA (0.47) ALDH1A1HPGDMAPTNPSR1GAA
SCHEMBL19957380 0.76 ALDH1A1 (0.45) ALDH1A1HPGDMAPTNPSR1GAA

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