SCHEMBL5708530

SCHEMBL5708530

Cc1ccc(Cn2c(=NNC=O)sc3ccccc32)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.44
TDP1 Q9NUW8 2/20 0.44
L3MBTL1 Q9Y468 5/20 0.44
KDM4E B2RXH2 1/20 0.44
PKM P14618 1/20 0.44
MAPK1 P28482 2/20 0.43
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43
ALDH1A1 P00352 3/20 0.43
LMNA P02545 2/20 0.43
KMT2A Q03164 1/20 0.43
P2RX4 Q99571 1/20 0.43
TP53 P04637 2/20 0.42
HCRTR2 O43614 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
TSHR P16473 1/20 0.41
KCNQ3 O43525 1/20 0.40
KCNQ2 O43526 1/20 0.40
RECQL P46063 1/20 0.40

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
SCHEMBL5708513 0.82 KMT2A (0.60) SMN1; SMN2TDP1L3MBTL1KDM4EPKM
SCHEMBL5708522 0.82 KCNQ3 (0.53) SMN1; SMN2L3MBTL1KDM4EPKMMAPK1
SCHEMBL4615041 0.79 SMN1; SMN2 (0.47) SMN1; SMN2TDP1L3MBTL1KDM4EPKM
SCHEMBL5708572 0.78 CNR1 (0.48) SMN1; SMN2MAPK1ALDH1A1KMT2ANPC1
SCHEMBL5708563 0.76 CNR1 (0.52) KMT2AKCNQ3KCNQ2
SCHEMBL5282157 0.75 SMN1; SMN2 (0.43) SMN1; SMN2TDP1L3MBTL1KDM4EPKM
SCHEMBL5282152 0.75 SMN1; SMN2 (0.43) SMN1; SMN2TDP1L3MBTL1KDM4EPKM
SCHEMBL5708477 0.74 KMT2A (0.62) SMN1; SMN2TDP1L3MBTL1KDM4EGAA
SCHEMBL4616208 0.74 L3MBTL1 (0.77) SMN1; SMN2TDP1L3MBTL1KDM4EPKM
Hydrochloric Acid SCHEMBL3865462 0.71 SMN1; SMN2 (0.49) SMN1; SMN2TDP1L3MBTL1KDM4EPKM

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