SCHEMBL3343044

SCHEMBL3343044

CC(=O)N(O)c1ccc(C=Cc2ccccc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTDSP1 Q9GZU7 1/20 0.62
RELA Q04206 1/20 0.55
GLA P06280 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
MAPT P10636 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 2/20 0.46
CASP3 P42574 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.46
CYP1B1 Q16678 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
HDAC1 Q13547 2/20 0.46
TRPM8 Q7Z2W7 2/20 0.44
HDAC3 O15379 1/20 0.44
TNKS O95271 1/20 0.44
HDAC4 P56524 1/20 0.44
HCAR2 Q8TDS4 1/20 0.44

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
SCHEMBL3343041 1.00 CTDSP1 (0.62) CTDSP1RELAGLATDP1MAPT
SCHEMBL440963 0.82 KDM4E (0.48) GLAMAPTSMN1; SMN2NPC1RAB9A
Water SCHEMBL28741447 0.80 KDM4E (0.47) GLAMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL3345880 0.79 SMN1; SMN2 (0.52) MAPTSMN1; SMN2KMT2AHDAC1ALDH1A1
(Z)-1,2-Diphenylethene SCHEMBL7706163 0.77 GLA (0.70) GLATDP1MAPTSMN1; SMN2CYP1B1
(Z)-1,2-Diphenylethene SCHEMBL7706161 0.77 GLA (0.70) GLATDP1MAPTSMN1; SMN2CYP1B1
Acetohydroxamic Acid SCHEMBL28769569 0.77 MTNR1A (0.44) CTDSP1GLAMAPTSMN1; SMN2NPC1
(Z)-1,2-Diphenylethene SCHEMBL8417390 0.75 GLA (0.67) GLATDP1MAPTSMN1; SMN2CYP1B1
(Z)-1,2-Diphenylethene SCHEMBL8903561 0.75 GLA (0.67) GLATDP1MAPTSMN1; SMN2CYP1B1
(Z)-1,2-Diphenylethene SCHEMBL5960443 0.73 GLA (0.64) GLATDP1MAPTSMN1; SMN2NPC1

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
US-20100162416-A1 Multi-stage stem cell carcinogenesis STEMLIFELINE, INC. (US) 2010-06-24 US disclosed
WO-2010037134-A2 MULTI-STAGE STEM CELL CARCINOGENESIS STEMLIFELINE, INC. (US) 2010-04-01 WO disclosed