SCHEMBL8526952

SCHEMBL8526952

CCn1ccc(=O)n(-c2ccccc2F)c1=S

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPT P10636 2/20 0.38
POLB P06746 1/20 0.38
APLNR P35414 1/20 0.38
MGLL Q99685 1/20 0.38
ALDH1A1 P00352 3/20 0.36
SMN1; SMN2 Q16637 4/20 0.35
KDM4E B2RXH2 2/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
GAA P10253 1/20 0.34
GLA P06280 1/20 0.34
HCAR1 Q9BXC0 2/20 0.33
TP53 P04637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
NOTUM Q6P988 1/20 0.33

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
SCHEMBL8584396 0.81 FAAH (0.42) HSD17B10MAPTMGLLALDH1A1KDM4E
SCHEMBL8527238 0.74 LPO (0.36) HSD17B10MEN1KMT2AMAPTPOLB
SCHEMBL8527401 0.71 ALDH1A1 (0.40) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL8585350 0.71 MEN1 (0.45) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL8584050 0.70 KMT2A (0.40) MEN1KMT2APOLBALDH1A1
SCHEMBL2297694 0.70 LPO (0.40) MEN1KMT2AMAPTPOLBALDH1A1
SCHEMBL8526760 0.69 PKM (0.36) MEN1KMT2APOLBNPSR1
SCHEMBL17537372 0.64 MEN1 (0.58) HSD17B10MEN1KMT2AMAPTPOLB
SCHEMBL16863292 0.64 GSK3A (0.42) KMT2APOLBMGLLALDH1A1KDM4E
SCHEMBL31016258 0.62 MAP2K2 (0.41) MEN1KMT2APOLBALDH1A1SMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5807864-A INCREASING HIGH DENSITY LIPOPROTEIN LEVELS AMERICAN HOME PRODUCTS CORPORATION (US) 1998-09-15 US claimed
EP-0885197-A1 2-THIOXOTETRAHYDROPYRIMIDIN-4-ONE DERIVATIVES AMERICAN HOME PRODUCTS CORPORATION (US) 1998-12-23 EP disclosed
US-5807864-A INCREASING HIGH DENSITY LIPOPROTEIN LEVELS AMERICAN HOME PRODUCTS CORPORATION (US) 1998-09-15 US disclosed
WO-1997032855-A1 2-THIOXOTETRAHYDROPYRIMIDIN-4-ONE DERIVATIVES AMERICAN HOME PRODUCTS CORPORATION (US) 1997-09-12 WO disclosed