SCHEMBL10348145

SCHEMBL10348145

CCOC(=O)CN(C)c1nc2ccc(Cl)cc2s1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.54
MAPT P10636 5/20 0.51
KMT2A Q03164 6/20 0.48
MEN1 O00255 4/20 0.48
ALDH1A1 P00352 4/20 0.48
HTT P42858 1/20 0.48
TP53 P04637 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
MAPK1 P28482 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
GAA P10253 1/20 0.47
PKM P14618 1/20 0.45
LMNA P02545 2/20 0.45
DYRK1A Q13627 1/20 0.44
FSCN1 Q16658 1/20 0.44
POLB P06746 1/20 0.44
HPGD P15428 1/20 0.43
SHMT2 P34897 1/20 0.43
NPC1 O15118 1/20 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
SCHEMBL10564160 0.84 MAPT (0.53) PTPN1MAPTKMT2AMEN1ALDH1A1
SCHEMBL10348927 0.83 MAPK1 (0.55) MAPTKMT2AMEN1ALDH1A1HTT
SCHEMBL21154227 0.73 HTT (0.65) MAPTKMT2AMEN1ALDH1A1HTT
SCHEMBL7534511 0.73 ALDH1A1 (0.51) PTPN1MAPTKMT2AMEN1ALDH1A1
SCHEMBL28300026 0.71 MEN1 (0.44) KMT2AMEN1ALDH1A1HTTTP53
SCHEMBL2791913 0.71 PTPN1 (0.69) PTPN1SMN1; SMN2MAPK1DYRK1AFSCN1
SCHEMBL10348387 0.70 TSHR (0.51) MAPTKMT2AMEN1ALDH1A1TP53
SCHEMBL2793299 0.70 PTPN1 (0.66) PTPN1MAPTALDH1A1SMN1; SMN2MAPK1
SCHEMBL14144251 0.69 MAPT (0.43) PTPN1MAPTKMT2AMEN1ALDH1A1
SCHEMBL10654126 0.69 PTPN1 (0.48) PTPN1MAPTKMT2AMEN1TP53

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0163236-B1 BENZOXAZOLYL AND BENZOTHIAZOLYL AMINOACIDS, THEIR PREPARATION AND THEIR USE IN THE PRESERVATION OF PLANTS HOECHST AKTIENGESELLSCHAFT (DE) 1990-04-25 EP claimed
US-4814459-A REDUCING PHYTOTOXICITY OF HERBICIDES HOECHST AKTIENGESELLSCHAFT (DE) 1989-03-21 US claimed
US-4814459-A REDUCING PHYTOTOXICITY OF HERBICIDES HOECHST AKTIENGESELLSCHAFT (DE) 1989-03-21 US disclosed