SCHEMBL6820533

SCHEMBL6820533

Cc1csc(NC(=O)CCCCCCCC=C(F)F)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
SMN1; SMN2 Q16637 4/20 0.48
POLB P06746 5/20 0.47
ALDH1A1 P00352 4/20 0.47
MAPT P10636 3/20 0.47
TSHR P16473 3/20 0.47
LMNA P02545 2/20 0.47
MAPK1 P28482 2/20 0.47
TP53 P04637 1/20 0.47
HPGD P15428 1/20 0.47
ALOX12 P18054 1/20 0.47
HTT P42858 1/20 0.47
HDAC1 Q13547 2/20 0.46
HDAC9 Q9UKV0 2/20 0.46
PDE5A O76074 1/20 0.46
HSD17B10 Q99714 2/20 0.46
ALOX15 P16050 1/20 0.46
KDM4E B2RXH2 1/20 0.46
HDAC6 Q9UBN7 1/20 0.44

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
SCHEMBL6820510 0.95 NPC1 (0.51) NPC1RAB9ASMN1; SMN2POLBALDH1A1
SCHEMBL6824163 0.82 SMN1; SMN2 (0.52) NPC1RAB9ASMN1; SMN2POLBALDH1A1
SCHEMBL7924468 0.81 POLB (0.58) NPC1RAB9ASMN1; SMN2POLBALDH1A1
SCHEMBL19994399 0.79 SMN1; SMN2 (0.65) NPC1RAB9ASMN1; SMN2POLBALDH1A1
SCHEMBL4099160 0.78 PDE5A (0.58) NPC1RAB9ASMN1; SMN2POLBALDH1A1
SCHEMBL13681845 0.77 CNR1 (0.54) SMN1; SMN2ALDH1A1MAPTMAPK1TP53
SCHEMBL1846537 0.75 CYP1A2 (0.68) NPC1RAB9ASMN1; SMN2POLBALDH1A1
SCHEMBL6820421 0.75 CYP1A2 (0.51) NPC1RAB9ASMN1; SMN2POLBALDH1A1
SCHEMBL6817628 0.74 SLC12A5 (0.40) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL6821585 0.72 NPC1 (0.57) NPC1RAB9ASMN1; SMN2POLBALDH1A1

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
WO-2004052872-A1 HALOALKENE COMPOUNDS, PROCESS FOR THEIR PRODUCTION AND PESTICIDES CONTAINING THEM ISHIHARA SANGYO KAISHA, LTD. (JP) 2004-06-24 WO disclosed