SCHEMBL9208019

SCHEMBL9208019

S=C1CNc2ccccc2[N]1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36
GAA P10253 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
KDM4E B2RXH2 3/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
HSP90AA1 P07900 1/20 0.32
MAPT P10636 1/20 0.32
THRB P10828 1/20 0.32
HK1 P19367 1/20 0.32
MAPK1 P28482 1/20 0.32
RECQL P46063 1/20 0.32
RAB9A P51151 1/20 0.32
GALK1 P51570 1/20 0.32
BLM P54132 1/20 0.32
KMT2A Q03164 1/20 0.32
HKDC1 Q2TB90 1/20 0.32
BRPF1 P55201 1/20 0.32
ALDH1A1 P00352 2/20 0.31

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
SCHEMBL38765 0.75 BRPF1 (0.39) ALOX15HSD17B10GAANPSR1KDM4E
SCHEMBL8800787 0.67 HSD17B10 (0.44) ALOX15HSD17B10GAANPSR1KDM4E
SCHEMBL8991819 0.67 LMNA (0.36) ALOX15HSD17B10GAAKDM4EMEN1
SCHEMBL1236095 0.67 LMNA (0.36) ALOX15HSD17B10GAAKDM4EMEN1
SCHEMBL24289878 0.67 ALOX15 (0.36) ALOX15HSD17B10GAANPSR1KDM4E
SCHEMBL8317265 0.67 ALOX15 (0.36) ALOX15HSD17B10GAANPSR1KDM4E
SCHEMBL31116493 0.67 ALOX15 (0.50) ALOX15HSD17B10GAANPSR1KDM4E
SCHEMBL14865384 0.67 RAB9A (0.38) ALOX15HSD17B10GAANPSR1KDM4E
SCHEMBL4111485 0.67 NOS2 (0.44) ALOX15HSD17B10GAANPSR1KDM4E
SCHEMBL28284830 0.67 ALOX15 (0.36) ALOX15HSD17B10GAANPSR1KDM4E

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0466452-B1 Thioxo heterocycles and their pharmaceutical use ZENECA LTD (GB) 1995-09-20 EP disclosed
US-5240941-A Enzyme inhibitors; antiinflammatory agents, antiallergens ICI PHARMA (FR) 1993-08-31 US disclosed
EP-0466452-A2 Thioxo heterocycles and their pharmaceutical use ZENECA LIMITED (GB) 1992-01-15 EP disclosed