SCHEMBL5315601

SCHEMBL5315601

C=CCn1c(C)cc(C)[n+]2nccc1-2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.36
MEN1 O00255 4/20 0.36
KDM4E B2RXH2 4/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 7/20 0.35
MAPT P10636 6/20 0.35
TDP1 Q9NUW8 4/20 0.35
ALDH1A1 P00352 7/20 0.33
L3MBTL1 Q9Y468 3/20 0.33
RAB9A P51151 5/20 0.32
NPC1 O15118 3/20 0.32
HTT P42858 2/20 0.32
TP53 P04637 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32
POLB P06746 2/20 0.32
NPSR1 Q6W5P4 1/20 0.31
MAPK1 P28482 1/20 0.30
LMNA P02545 4/20 0.30
MITF O75030 3/20 0.30

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
SCHEMBL5316827 0.81 KDM4E (0.33) KMT2AMEN1KDM4EMAPTTDP1
SCHEMBL5315450 0.72 ALDH1A1 (0.35) KMT2AMEN1KDM4EHPGDSMN1; SMN2
Hydrochloric Acid SCHEMBL4088358 0.67 KMT2A (0.45) KMT2AMEN1KDM4EHPGDSMN1; SMN2
SCHEMBL1426816 0.65 KMT2A (0.46) KMT2AMEN1KDM4EHPGDSMN1; SMN2
SCHEMBL20861812 0.64 CYP3A4 (0.46) KMT2AMEN1KDM4EHPGDSMN1; SMN2
Bromide SCHEMBL1457139 0.64 KMT2A (0.45) KMT2AMEN1KDM4EHPGDSMN1; SMN2
SCHEMBL6428552 0.59 PARP1 (0.48) KMT2AMEN1KDM4EHPGDSMN1; SMN2
SCHEMBL31219282 0.59 PARP1 (0.48) KMT2AMEN1KDM4EHPGDSMN1; SMN2
SCHEMBL14128779 0.58 CYP3A4 (0.56) KMT2AMEN1KDM4EHPGDSMN1; SMN2
Sulfuric Acid SCHEMBL3399748 0.58 KMT2A (0.40) KMT2AMEN1KDM4EHPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1838279-A1 AGENTS FOR DYING KERATIN FIBERS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-10-03 EP claimed
WO-2006077039-A1 AGENTS FOR DYING KERATIN FIBERS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2006-07-27 WO claimed