SCHEMBL5700780

SCHEMBL5700780

COC(=O)C(N)(S)c1ccccn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ALDH1A1 P00352 2/20 0.41
CASP1 P29466 1/20 0.41
KCNN4 O15554 1/20 0.41
KDM4E B2RXH2 2/20 0.39
HSD17B10 Q99714 1/20 0.39
AHR P35869 1/20 0.39
PLCG1 P19174 1/20 0.39
ADORA2A P29274 1/20 0.39
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
MAPT P10636 2/20 0.38
PKM P14618 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
SRC P12931 1/20 0.38
F2 P00734 1/20 0.37
POLB P06746 1/20 0.37
TP53 P04637 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
SCHEMBL504847 0.79 PLCG1 (0.51) SMN1; SMN2L3MBTL1ALDH1A1KCNN4KDM4E
SCHEMBL28403522 0.79 SMN1; SMN2 (0.47) SMN1; SMN2L3MBTL1ALDH1A1KCNN4KDM4E
SCHEMBL11001068 0.78 SMN1; SMN2 (0.50) SMN1; SMN2L3MBTL1ALDH1A1KCNN4KDM4E
SCHEMBL20166133 0.78 AHR (0.47) SMN1; SMN2L3MBTL1ALDH1A1KCNN4KDM4E
SCHEMBL10334728 0.78 SMN1; SMN2 (0.46) SMN1; SMN2L3MBTL1ALDH1A1KCNN4KDM4E
SCHEMBL9978324 0.78 SMN1; SMN2 (0.46) SMN1; SMN2L3MBTL1ALDH1A1KCNN4KDM4E
SCHEMBL75592 0.77 KDM4E (0.41) SMN1; SMN2L3MBTL1ALDH1A1CASP1KCNN4
SCHEMBL1027526 0.77 AHR (0.46) SMN1; SMN2L3MBTL1KCNN4KDM4EAHR
SCHEMBL6120105 0.76 LMNA (0.42) SMN1; SMN2L3MBTL1ALDH1A1CASP1KDM4E
SCHEMBL11721606 0.75 SMN1; SMN2 (0.43) SMN1; SMN2L3MBTL1ALDH1A1CASP1KDM4E

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
EP-1027328-B1 SUBSTITUTED ANILIDES AVENTIS PHARMA LTD (GB) 2006-08-23 EP disclosed
US-6479519-B1 INHIBITORS OF CELL ADHESION; TREATMENT OF ASTHMA OR INFLAMMATORY BOWEL DISEASE AVENTIS PHARMA LIMITED (GB) 2002-11-12 US disclosed
EP-1027328-A1 SUBSTITUTED ANILIDES Aventis Pharma Limited (GB) 2000-08-16 EP disclosed
WO-1999023063-A1 SUBSTITUTED ANILIDES AVENTIS PHARMA LIMITED (GB) 1999-05-14 WO disclosed