SCHEMBL3458553

SCHEMBL3458553

NC(=O)OCCNc1nc2c(s1)CCCC2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.51
PARP1 P09874 1/20 0.48
RAB9A P51151 9/20 0.46
SMN1; SMN2 Q16637 6/20 0.46
KMT2A Q03164 5/20 0.46
GAA P10253 4/20 0.46
MITF O75030 1/20 0.46
NPC1 O15118 8/20 0.44
LMNA P02545 7/20 0.44
MAPT P10636 7/20 0.44
TP53 P04637 4/20 0.44
ALDH1A1 P00352 3/20 0.44
HSD17B10 Q99714 3/20 0.44
PKM P14618 3/20 0.44
USP2 O75604 1/20 0.44
POLB P06746 1/20 0.44
THRB P10828 1/20 0.44
MEN1 O00255 4/20 0.43
NFKB1 P19838 4/20 0.42
NFKB2 Q00653 4/20 0.42

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
SCHEMBL3464201 0.76 TSHR (0.51) TSHRPARP1RAB9ASMN1; SMN2KMT2A
SCHEMBL24805051 0.73 TSHR (0.62) TSHRPARP1RAB9ASMN1; SMN2KMT2A
SCHEMBL2903952 0.73 RAB9A (0.50) TSHRPARP1RAB9ASMN1; SMN2KMT2A
SCHEMBL7955024 0.73 TSHR (0.67) TSHRPARP1RAB9ASMN1; SMN2KMT2A
SCHEMBL11228337 0.69 TSHR (0.74) TSHRPARP1RAB9ASMN1; SMN2KMT2A
SCHEMBL3468988 0.68 NPC1 (0.55) RAB9ASMN1; SMN2KMT2AGAANPC1
SCHEMBL11221748 0.68 PARP1 (0.67) TSHRPARP1RAB9ASMN1; SMN2KMT2A
SCHEMBL3536095 0.67 TSHR (0.58) TSHRPARP1RAB9ASMN1; SMN2KMT2A
SCHEMBL659214 0.67 TSHR (0.71) TSHRPARP1RAB9ASMN1; SMN2KMT2A
SCHEMBL8685426 0.67 RAB9A (0.61) TSHRRAB9ASMN1; SMN2KMT2AGAA

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