SCHEMBL9839760

SCHEMBL9839760

CN(C)c1ccc(C(=S)C(=S)c2ccccc2)cc1.[Ni].[Ni]

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.62
HPGD P15428 4/20 0.62
KMT2A Q03164 3/20 0.62
MEN1 O00255 2/20 0.62
NPC1 O15118 2/20 0.62
ALDH1A1 P00352 9/20 0.58
GFER P55789 1/20 0.58
MAPT P10636 5/20 0.48
KCNK3 O14649 1/20 0.47
KDM4E B2RXH2 1/20 0.47
TSHR P16473 3/20 0.47
MAPK1 P28482 3/20 0.47
ALOX15 P16050 2/20 0.47
CYP3A4 P08684 1/20 0.47
HBB P68871 1/20 0.47
HSP90AA1 P07900 1/20 0.47
CASP3 P42574 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CYP1B1 Q16678 1/20 0.46
SENP8 Q96LD8 1/20 0.46

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
SCHEMBL7166399 1.00 RAB9A (0.62) RAB9AHPGDKMT2AMEN1NPC1
SCHEMBL1811805 1.00 RAB9A (0.62) RAB9AHPGDKMT2AMEN1NPC1
SCHEMBL611876 0.85 RAB9A (0.64) RAB9AHPGDKMT2AMEN1NPC1
SCHEMBL24851242 0.80 RAB9A (0.69) RAB9AHPGDKMT2AMEN1NPC1
SCHEMBL5339984 0.80 RAB9A (0.69) RAB9AHPGDKMT2AMEN1NPC1
SCHEMBL5683621 0.79 ALDH1A1 (0.48) HPGDKMT2AMEN1ALDH1A1MAPT
SCHEMBL1508905 0.79 ALDH1A1 (0.48) HPGDKMT2AMEN1ALDH1A1MAPT
SCHEMBL9057697 0.79 TDP1 (0.51) RAB9AHPGDKMT2AMEN1NPC1
SCHEMBL10908124 0.79 MAPT (0.64) RAB9AHPGDKMT2AMEN1NPC1
SCHEMBL9701745 0.78 RAB9A (0.67) RAB9AHPGDKMT2AMEN1NPC1

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
US-5071674-A Method for producing large silica sol-gels doped with inorganic and organic compounds THE UNIVERSITY OF FLORIDA (US) 1991-12-10 US disclosed