SCHEMBL3340470

SCHEMBL3340470

CN(OC(=O)c1ccccc1)c1ccc(N=Nc2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.58
MAPT P10636 7/20 0.58
CASP3 P42574 2/20 0.58
SENP7 Q9BQF6 2/20 0.58
SENP6 Q9GZR1 2/20 0.58
L3MBTL1 Q9Y468 2/20 0.58
SENP8 Q96LD8 1/20 0.58
ALDH1A1 P00352 6/20 0.53
MAPK1 P28482 3/20 0.53
TSHR P16473 2/20 0.53
HSD17B10 Q99714 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
NPC1 O15118 7/20 0.50
KMT2A Q03164 4/20 0.50
MEN1 O00255 2/20 0.50
POLB P06746 1/20 0.50
TRPA1 O75762 1/20 0.49
MYC P01106 1/20 0.47
KDM4E B2RXH2 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.43

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
SCHEMBL990272 0.83 RAB9A (0.67) RAB9AMAPTCASP3SENP7SENP6
SCHEMBL20850055 0.77 PDCD1 (0.53) MAPTL3MBTL1ALDH1A1KDM4ESMN1; SMN2
Azobenzene SCHEMBL28437893 0.75 RAB9A (0.89) RAB9AMAPTCASP3SENP7SENP6
SCHEMBL9670086 0.75 NPC1 (0.55) RAB9AMAPTCASP3SENP7SENP6
SCHEMBL1405345 0.74 RAB9A (1.00) RAB9AMAPTCASP3SENP7SENP6
SCHEMBL1405346 0.74 RAB9A (1.00) RAB9AMAPTCASP3SENP7SENP6
SCHEMBL28281090 0.74 NPC1 (0.48) RAB9AMAPTL3MBTL1ALDH1A1TSHR
SCHEMBL6001140 0.73 MAPT (0.72) RAB9AMAPTCASP3SENP7SENP6
SCHEMBL5988732 0.73 MAPT (0.72) RAB9AMAPTCASP3SENP7SENP6
SCHEMBL229327 0.73 TSHR (0.58) RAB9AMAPTALDH1A1MAPK1TSHR

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 1 patent. 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