SCHEMBL17702004

SCHEMBL17702004

CC(C)(C)Cc1nc(-c2ccc3c(c2)OCCO3)cs1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 18/20 0.66
NPC1 O15118 16/20 0.66
KMT2A Q03164 9/20 0.66
MEN1 O00255 8/20 0.66
SMN1; SMN2 Q16637 13/20 0.64
ALDH1A1 P00352 9/20 0.64
MAPT P10636 10/20 0.60
TP53 P04637 1/20 0.60
LMNA P02545 3/20 0.54
NFKB1 P19838 3/20 0.54
NFKB2 Q00653 3/20 0.54
RELA Q04206 3/20 0.54
HSD17B10 Q99714 2/20 0.53
GAA P10253 2/20 0.52
TSHR P16473 1/20 0.51
CLK1 P49759 1/20 0.51
KDM4E B2RXH2 1/20 0.48
CASP3 P42574 1/20 0.47
HTT P42858 1/20 0.47
SENP8 Q96LD8 1/20 0.47

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
SCHEMBL12923168 0.86 RAB9A (0.68) RAB9ANPC1KMT2AMEN1SMN1; SMN2
SCHEMBL12895744 0.81 RAB9A (0.72) RAB9ANPC1KMT2AMEN1SMN1; SMN2
SCHEMBL16601588 0.79 RAB9A (1.00) RAB9ANPC1KMT2AMEN1SMN1; SMN2
SCHEMBL7238213 0.77 RAB9A (0.97) RAB9ANPC1KMT2AMEN1SMN1; SMN2
SCHEMBL13341087 0.75 RAB9A (0.68) RAB9ANPC1KMT2AMEN1SMN1; SMN2
SCHEMBL12775984 0.74 L3MBTL1 (0.59) RAB9ANPC1KMT2AMEN1SMN1; SMN2
SCHEMBL13021195 0.74 RAB9A (0.59) RAB9ANPC1KMT2AMEN1SMN1; SMN2
SCHEMBL12775955 0.74 RAB9A (0.59) RAB9ANPC1KMT2AMEN1SMN1; SMN2
SCHEMBL12297233 0.72 RAB9A (0.83) RAB9ANPC1KMT2AMEN1SMN1; SMN2
SCHEMBL12775950 0.70 KDM4E (0.59) RAB9ANPC1KMT2AMEN1SMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9321731-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2016-04-26 US disclosed