SCHEMBL10394657

SCHEMBL10394657

CCOC(=O)c1cnn(-c2cc(Cl)cc(Cl)c2)c1S(C)(=O)=O

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.53
ALDH1A1 P00352 7/20 0.46
HPGD P15428 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
TSHR P16473 2/20 0.45
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
MAPT P10636 3/20 0.45
L3MBTL1 Q9Y468 1/20 0.43
MAPK1 P28482 2/20 0.41
NPC1 O15118 1/20 0.41
TP53 P04637 1/20 0.41
XBP1 P17861 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TLR9 Q9NR96 1/20 0.41

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
SCHEMBL10393443 0.89 ALDH1A1 (0.50) HTTALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL8342039 0.83 HTT (0.58) HTTALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL24303662 0.81 ALDH1A1 (0.54) HTTALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL31117068 0.81 HTT (0.77) HTTALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL2360995 0.80 NPC1 (0.45) HTTALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL30254199 0.80 ALDH1A1 (0.52) HTTALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL10394019 0.79 HTT (0.54) HTTALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL10393454 0.79 HTT (0.57) HTTALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL10394640 0.79 HTT (0.54) HTTALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL16694907 0.74 HTT (0.54) HTTALDH1A1HPGDRAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1015983-B Process for preparing gametocides pyrazoles LILLY CO ELI (US) 1992-03-25 CN disclosed
US-4966623-A POLLEN INHIBITION ACKMANN STEPHEN A (US) 1990-10-30 US disclosed
US-4902808-A HYBRID, POLLEN FORMATION INHIBITOR ELI LILLY AND COMPANY (US) 1990-02-20 US disclosed
US-4801326-A PRODUCTION OF HYBRID SEED ELI LILLY AND COMPANY (US) 1989-01-31 US disclosed
CN-87102443-A Cametocidal pyrazoles 1987-10-14 CN disclosed