SCHEMBL4247199

SCHEMBL4247199

COc1ccccc1Nc1scc(C)c1C(N)=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.57
ALDH1A1 P00352 5/20 0.47
MAPT P10636 5/20 0.47
GAA P10253 2/20 0.47
HPGD P15428 1/20 0.47
SMN1; SMN2 Q16637 4/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
RAB9A P51151 1/20 0.44
HTT P42858 1/20 0.44
POLB P06746 1/20 0.43
APLNR P35414 1/20 0.43
CISD2 Q8N5K1 1/20 0.43
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42
MAPK1 P28482 1/20 0.42
MAPK8 P45983 1/20 0.42
CAMKK2 Q96RR4 1/20 0.42
LMNA P02545 1/20 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
SCHEMBL4067013 0.81 KMT2A (0.60) HSD17B10MAPTGAASMN1; SMN2RAB9A
SCHEMBL7674468 0.71 RAB9A (0.53) MAPTSMN1; SMN2RAB9A
SCHEMBL7002930 0.71 RAB9A (0.53) MAPTSMN1; SMN2RAB9A
SCHEMBL7676444 0.71 FLT3 (0.55) ALDH1A1MAPTHPGDL3MBTL1RAB9A
SCHEMBL7002116 0.71 FLT3 (0.46) HSD17B10ALDH1A1MAPTHPGDL3MBTL1
SCHEMBL7005437 0.71 PDE4D (0.46) ALDH1A1MAPTHPGDSMN1; SMN2L3MBTL1
SCHEMBL14585671 0.71 ADRA2A (0.36) HSD17B10ALDH1A1MAPTGAAHPGD
SCHEMBL9409042 0.71 JAK2 (0.58) HSD17B10ALDH1A1MAPTGAASMN1; SMN2
SCHEMBL1930005 0.70 EPHB4 (0.40) HSD17B10ALDH1A1MAPTGAAHPGD
SCHEMBL2755842 0.69 ALDH1A1 (0.77) HSD17B10ALDH1A1MAPTGAASMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2043654-A2 THIENOPYRIMIDINES USEFUL AS MODULATORS OF ION CHANNELS Vertex Pharmaceuticals, Inc. (US) 2009-04-08 EP disclosed
WO-2007146284-A2 THIENOPYRIMIDINES USEFUL AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-12-21 WO disclosed