SCHEMBL4703597

SCHEMBL4703597

CCCCc1c2c(nc3sc(C(=O)O)cc13)CCCC2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
POLB P06746 3/20 0.40
TSHR P16473 2/20 0.40
MAPK1 P28482 2/20 0.40
KDM4E B2RXH2 5/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
GLA P06280 1/20 0.38
PKM P14618 1/20 0.38
HTT P42858 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HPGD P15428 2/20 0.38
LMNA P02545 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MAPT P10636 4/20 0.37
PRNP P04156 1/20 0.37
PPARG P37231 1/20 0.37
NCOA2 Q15596 1/20 0.37

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
SCHEMBL5243084 0.78 KDM4E (0.43) ALDH1A1L3MBTL1TSHRMAPK1KDM4E
SCHEMBL4703593 0.77 NPC1 (0.51) ALDH1A1L3MBTL1POLBTSHRMAPK1
SCHEMBL4704992 0.76 ALDH1A1 (0.39) ALDH1A1L3MBTL1POLBTSHRMAPK1
SCHEMBL5241408 0.75 KDM4E (0.47) ALDH1A1L3MBTL1POLBTSHRKDM4E
SCHEMBL9405015 0.70 MEN1 (0.56) ALDH1A1L3MBTL1TSHRMAPK1KDM4E
SCHEMBL460602 0.70 MEN1 (0.50) MEN1KMT2AACHEBCHE
SCHEMBL4705357 0.67 NPC1 (0.50) ALDH1A1L3MBTL1POLBTSHRMAPK1
SCHEMBL15024799 0.66 MEN1 (0.53) MEN1KMT2AACHEBCHE
SCHEMBL28469513 0.66 BCHE (0.63) ALDH1A1TSHRMAPK1KDM4ELMNA
SCHEMBL5243082 0.66 KDM4E (0.60) ALDH1A1L3MBTL1POLBTSHRMAPK1

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