SCHEMBL4705359

SCHEMBL4705359

CCCCNC(=S)c1cc2cc3c(nc2s1)CCCC3

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.41
SMN1; SMN2 Q16637 8/20 0.41
KDM4E B2RXH2 8/20 0.41
LMNA P02545 6/20 0.41
HTT P42858 3/20 0.41
HPGD P15428 3/20 0.41
MAPK1 P28482 2/20 0.41
HSD17B10 Q99714 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
TSHR P16473 1/20 0.41
KMT2A Q03164 3/20 0.40
PPARG P37231 1/20 0.40
NCOR2 Q9Y618 1/20 0.40
RAB9A P51151 7/20 0.37
NPC1 O15118 6/20 0.37
MAPT P10636 6/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
MEN1 O00255 2/20 0.35

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
SCHEMBL22699195 0.75 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2KDM4ELMNAHTT
SCHEMBL22699269 0.74 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2KDM4ELMNAHTT
SCHEMBL22699224 0.74 KDM4E (0.45) ALDH1A1SMN1; SMN2KDM4ELMNAHTT
SCHEMBL22699230 0.71 NPC1 (0.47) ALDH1A1SMN1; SMN2KDM4ELMNAHTT
SCHEMBL22699218 0.70 MAPT (0.39) ALDH1A1SMN1; SMN2KDM4ELMNAHTT
SCHEMBL4705999 0.69 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2KDM4ELMNAHTT
SCHEMBL14954867 0.69 MAPT (0.64) ALDH1A1SMN1; SMN2KDM4ELMNAHTT
SCHEMBL22699072 0.68 NPC1 (0.44) ALDH1A1SMN1; SMN2KDM4ELMNAHTT
SCHEMBL4705357 0.65 NPC1 (0.50) ALDH1A1SMN1; SMN2KDM4ELMNAHTT
SCHEMBL4703593 0.61 NPC1 (0.51) ALDH1A1SMN1; SMN2KDM4ELMNAHTT

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-1871776-A2 FUSED THIENO[2,3-B]PYRIDINE AND THIAZOLO[5,4-B]PYRIDINE COMPOUNDS FOR INHIBITING KSP KINESIN ACTIVITY SCHERING CORPORATION (US) 2008-01-02 EP disclosed
WO-2006098961-A2 FUSED THIENO [2, 3-B] PYRIDINE AND THIAZOLO [5, 4-B] PYRIDINE COMPOUNDS FOR INHIBITING KSP KINESIN ACTIVITY SCHERING CORPORATION (US) 2006-09-21 WO disclosed