SCHEMBL7983650

SCHEMBL7983650

CCC(=O)Nc1nc(N[C@H](CC)CCc2cccs2)nc(C(C)(C)F)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 8/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
LMNA P02545 3/20 0.38
MAPT P10636 3/20 0.38
RECQL P46063 2/20 0.38
ADORA2A P29274 4/20 0.37
ADORA1 P30542 4/20 0.37
ADORA3 P0DMS8 4/20 0.37
GAPDH P04406 3/20 0.37
PTPN7 P35236 3/20 0.37
ALDH1A1 P00352 3/20 0.36
RAB9A P51151 2/20 0.36
KDM4E B2RXH2 1/20 0.36
TDP1 Q9NUW8 3/20 0.36
ALOX15 P16050 2/20 0.36
APEX1 P27695 2/20 0.36
BLM P54132 2/20 0.36
HSD17B10 Q99714 2/20 0.36

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
SCHEMBL7982764 0.91 POLB (0.39) POLBSMN1; SMN2MEN1KMT2ALMNA
SCHEMBL7992905 0.83 HTR6 (0.45) POLBSMN1; SMN2MEN1KMT2ALMNA
SCHEMBL7676182 0.76 HTR2C (0.35) SMN1; SMN2MEN1KMT2ALMNAMAPT
SCHEMBL8097539 0.74 ADORA3 (0.43) POLBSMN1; SMN2MEN1KMT2AADORA2A
SCHEMBL7670042 0.68 HTR7 (0.48) POLBLMNAMAPTADORA2AADORA1
SCHEMBL7971320 0.67 ADORA3 (0.37) SMN1; SMN2MEN1KMT2AMAPTADORA2A
SCHEMBL8517250 0.65 TSHR (0.34)
SCHEMBL8134827 0.62 HTR2C (0.37) SMN1; SMN2MEN1KMT2ALMNAMAPT
SCHEMBL3389972 0.61 TAAR1 (0.47) POLBSMN1; SMN2KMT2ARAB9ARIPK1
SCHEMBL5251770 0.61 NPC1 (0.62) POLBSMN1; SMN2LMNAMAPTALDH1A1

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