SCHEMBL9360855

SCHEMBL9360855

COc1cnc(S(C)(=O)=O)nc1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.43
LMNA P02545 5/20 0.43
NPC1 O15118 4/20 0.40
TLR9 Q9NR96 4/20 0.40
HTT P42858 4/20 0.40
NPSR1 Q6W5P4 4/20 0.40
TP53 P04637 4/20 0.40
ALDH1A1 P00352 3/20 0.40
PDE4B Q07343 2/20 0.40
HSD17B10 Q99714 2/20 0.40
MAPT P10636 2/20 0.40
XBP1 P17861 1/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 4/20 0.37
RAB9A P51151 4/20 0.37
MEN1 O00255 3/20 0.37
HPGD P15428 2/20 0.34
MITF O75030 2/20 0.34
KDM4E B2RXH2 1/20 0.34
STAT3 P40763 1/20 0.34

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
SCHEMBL6042880 0.80 KMT2A (0.45) SMN1; SMN2LMNANPC1TLR9HTT
SCHEMBL1442168 0.79 MAPT (0.43) SMN1; SMN2LMNANPC1TLR9HTT
SCHEMBL5410660 0.76 LRRK2 (0.41) SMN1; SMN2LMNANPC1TLR9HTT
SCHEMBL9362063 0.75 NUDT1 (0.33) LMNAFYNP2RX3P2RX2IDO1
SCHEMBL10999199 0.74 MAPT (0.39) SMN1; SMN2LMNANPC1TLR9HTT
SCHEMBL20506972 0.73 BRD4 (0.57) L3MBTL1
SCHEMBL31366357 0.72 ALDH1A1 (0.38) SMN1; SMN2LMNATP53ALDH1A1HSD17B10
SCHEMBL2148581 0.72 ALDH1A1 (0.38) SMN1; SMN2LMNATP53ALDH1A1HSD17B10
SCHEMBL9045721 0.71 P2RX3 (0.37) SMN1; SMN2LMNATP53ALDH1A1MAPT
SCHEMBL3169433 0.71 FTO (0.40) SMN1; SMN2TP53ALDH1A1HSD17B10MAPT

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-0392240-B1 Esters of pyrimidine-4-yl-carbamidacid BAYER AG (DE) 1994-05-11 EP disclosed
US-5043337-A Insecticidal pyrimidin-4-yl carbamates BAYER AKTIENGESELLSCHAFT (DE) 1991-08-27 US disclosed
EP-0392240-A1 Esters of pyrimidine-4-yl-carbamidacid BAYER AG (DE) 1990-10-17 EP disclosed