SCHEMBL11545872

SCHEMBL11545872

CNC(=O)N(S)c1ccc(Nc2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.47
POLB P06746 1/20 0.47
CASP3 P42574 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
GAA P10253 5/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MAPK13 O15264 1/20 0.44
MAPK12 P53778 1/20 0.44
MAPK11 Q15759 1/20 0.44
MAPK14 Q16539 1/20 0.44
ALDH1A1 P00352 5/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
RXFP1 Q9HBX9 1/20 0.44
HSP90AA1 P07900 1/20 0.44
MAPK1 P28482 3/20 0.43
ALOX12 P18054 2/20 0.43

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
SCHEMBL11372476 0.86 LMNA (0.42) POLBCYP2C9CYP2C19SMN1; SMN2ALDH1A1
SCHEMBL9243026 0.85 CASP3 (0.56) MAPTPOLBCASP3SENP7GAA
SCHEMBL11546145 0.83 MAPT (0.41) MAPTSMN1; SMN2ALDH1A1PTGS2HPGD
SCHEMBL11546205 0.77 RAB9A (0.43) POLBGAASMN1; SMN2ALDH1A1TSHR
SCHEMBL11543446 0.77 ALDH1A1 (0.47) MAPTPOLBGAASMN1; SMN2ALDH1A1
SCHEMBL11150730 0.77 ALDH1A1 (0.36) MAPTPOLBGAASMN1; SMN2ALDH1A1
SCHEMBL6819624 0.75 NAPRT (0.61) MAPTPOLBGAASMN1; SMN2ALDH1A1
SCHEMBL11550075 0.75 TDP1 (0.40) MAPTPOLBGAACYP1A2CYP2C9
SCHEMBL11077875 0.74 HDAC3 (0.30)
SCHEMBL4053439 0.74 MAPT (0.44) MAPTPOLBGAASMN1; SMN2MEN1

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