SCHEMBL7982764

SCHEMBL7982764

CC[C@H](CCc1cccs1)Nc1nc(NC(C)=O)nc(C(C)(C)F)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 10/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
MEN1 O00255 7/20 0.36
KMT2A Q03164 7/20 0.36
LMNA P02545 4/20 0.36
MAPT P10636 4/20 0.36
RECQL P46063 2/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
RIPK1 Q13546 1/20 0.35
GAPDH P04406 3/20 0.35
PTPN7 P35236 3/20 0.35
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 1/20 0.35
TDP1 Q9NUW8 3/20 0.34
BLM P54132 3/20 0.34
ALOX15 P16050 2/20 0.34
APEX1 P27695 2/20 0.34
HSD17B10 Q99714 2/20 0.34
CTDSP1 Q9GZU7 2/20 0.34
NR4A1 P22736 1/20 0.34

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
SCHEMBL7983650 0.91 POLB (0.43) POLBSMN1; SMN2MEN1KMT2ALMNA
SCHEMBL7992905 0.84 HTR6 (0.45) POLBSMN1; SMN2MEN1KMT2ALMNA
SCHEMBL6262929 0.81 POLB (0.35) POLBL3MBTL1ALDH1A1KDM4ERAB9A
SCHEMBL7676182 0.76 HTR2C (0.35) SMN1; SMN2MEN1KMT2ALMNAMAPT
SCHEMBL7670042 0.68 HTR7 (0.48) POLBLMNAMAPTALOX15HTR2C
SCHEMBL8517250 0.66 TSHR (0.34) TSHR
SCHEMBL7664711 0.65 IDH1 (0.39) POLBSMN1; SMN2MEN1KMT2AMAPT
SCHEMBL8134827 0.63 HTR2C (0.37) SMN1; SMN2MEN1KMT2ALMNAMAPT
SCHEMBL3389972 0.62 TAAR1 (0.47) POLBSMN1; SMN2KMT2ARIPK1RAB9A
SCHEMBL6261553 0.60 TSHR (0.33) SMN1; SMN2MEN1KMT2ALMNAMAPT

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-2001005786-A3 USE OF OPTICALLY ACTIVE THIENYLALKYLAMINO-1,3,5-TRIAZINES AS HERBICIDES BAYER AG (DE) 2001-07-19 WO disclosed
WO-2001005786-A2 USE OF OPTICALLY ACTIVE THIENYLALKYLAMINO-1,3,5-TRIAZINES AS HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 2001-01-25 WO disclosed