SCHEMBL5708477

SCHEMBL5708477

Cn1c(=NNC=O)sc2ccccc21

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.62
ALDH1A1 P00352 5/20 0.54
LMNA P02545 2/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
MAPT P10636 7/20 0.54
GAA P10253 1/20 0.54
RAB9A P51151 9/20 0.53
SMN1; SMN2 Q16637 8/20 0.53
NPC1 O15118 8/20 0.53
MEN1 O00255 1/20 0.51
KCNQ3 O43525 1/20 0.50
KCNQ2 O43526 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C19 P33261 1/20 0.50
TRPM5 Q9NZQ8 1/20 0.47
NPSR1 Q6W5P4 3/20 0.47
NSD2 O96028 1/20 0.47
MCL1 Q07820 1/20 0.47
TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL5708522 0.81 KCNQ3 (0.53) KMT2AALDH1A1LMNAL3MBTL1MAPT
SCHEMBL14338151 0.81 NPC1 (0.55) KMT2AALDH1A1LMNAL3MBTL1MAPT
SCHEMBL5708572 0.79 CNR1 (0.48) KMT2AALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL14104341 0.78 KMT2A (0.61) KMT2AALDH1A1LMNAL3MBTL1MAPT
SCHEMBL5708563 0.77 CNR1 (0.52) KMT2AKCNQ3KCNQ2
SCHEMBL5708525 0.77 KMT2A (1.00) KMT2AALDH1A1LMNAL3MBTL1MAPT
SCHEMBL6340566 0.77 KMT2A (1.00) KMT2AALDH1A1LMNAL3MBTL1MAPT
SCHEMBL11102742 0.76 KMT2A (0.62) KMT2AALDH1A1LMNAL3MBTL1MAPT
SCHEMBL11102741 0.76 KMT2A (0.62) KMT2AALDH1A1LMNAL3MBTL1MAPT
SCHEMBL1262942 0.76 MAPT (0.68) KMT2AALDH1A1LMNAL3MBTL1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1599179-B1 AGENT AND METHOD FOR DYEING KERATIN FIBRES WELLA AG (DE) 2006-10-11 EP claimed
EP-1599179-A1 AGENT AND METHOD FOR DYEING KERATIN FIBRES Wella Aktiengesellschaft (DE) 2005-11-30 EP claimed
WO-2004078153-A1 AGENT AND METHOD FOR DYEING KERATIN FIBRES WELLA AKTIENGESELLSCHAFT (DE) 2004-09-16 WO claimed
EP-1599179-B1 AGENT AND METHOD FOR DYEING KERATIN FIBRES WELLA AG (DE) 2006-10-11 EP disclosed
EP-1599179-A1 AGENT AND METHOD FOR DYEING KERATIN FIBRES Wella Aktiengesellschaft (DE) 2005-11-30 EP disclosed
WO-2004078153-A1 AGENT AND METHOD FOR DYEING KERATIN FIBRES WELLA AKTIENGESELLSCHAFT (DE) 2004-09-16 WO disclosed