SCHEMBL3464201

SCHEMBL3464201

O=C(O)NCCNc1nc2c(s1)CCCC2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.51
LMNA P02545 5/20 0.49
RAB9A P51151 12/20 0.49
SMN1; SMN2 Q16637 10/20 0.49
KMT2A Q03164 5/20 0.49
GAA P10253 3/20 0.49
MITF O75030 1/20 0.49
PARP1 P09874 1/20 0.48
NPC1 O15118 11/20 0.47
ALDH1A1 P00352 9/20 0.47
TP53 P04637 7/20 0.47
NFKB1 P19838 5/20 0.47
NFKB2 Q00653 5/20 0.47
RELA Q04206 5/20 0.47
HSD17B10 Q99714 4/20 0.47
MEN1 O00255 4/20 0.47
HTT P42858 3/20 0.47
PTBP1 P26599 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MAPT P10636 7/20 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
SCHEMBL2903952 0.76 RAB9A (0.50) TSHRLMNARAB9ASMN1; SMN2KMT2A
SCHEMBL3458553 0.76 TSHR (0.51) TSHRLMNARAB9ASMN1; SMN2KMT2A
SCHEMBL13278295 0.74 TSHR (0.64) TSHRLMNARAB9ASMN1; SMN2KMT2A
SCHEMBL24805051 0.73 TSHR (0.62) TSHRLMNARAB9ASMN1; SMN2KMT2A
SCHEMBL11220484 0.72 TSHR (0.65) TSHRLMNARAB9ASMN1; SMN2KMT2A
SCHEMBL6828225 0.71 TSHR (0.40) TSHRLMNARAB9ASMN1; SMN2KMT2A
SCHEMBL7955024 0.70 TSHR (0.67) TSHRLMNARAB9ASMN1; SMN2KMT2A
SCHEMBL659214 0.70 TSHR (0.71) TSHRLMNARAB9ASMN1; SMN2KMT2A
SCHEMBL24026375 0.70 PARP1 (0.67) TSHRLMNARAB9ASMN1; SMN2KMT2A
SCHEMBL11228337 0.70 TSHR (0.74) TSHRLMNARAB9ASMN1; SMN2KMT2A

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-2010010435-A2 FUSED OXAZOLE AND THIAZOLE DERIVATIVES AS TRPMS MODULATORS GLENMARK PHARMACEUTICAL S.A. (CH) 2010-01-28 WO disclosed