SCHEMBL3345549

SCHEMBL3345549

CN(N=O)c1ccc(/N=N/c2ccccc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 6/20 0.64
ALDH1A1 P00352 4/20 0.64
TDP1 Q9NUW8 4/20 0.64
HSD17B10 Q99714 3/20 0.64
TSHR P16473 2/20 0.64
KMT2A Q03164 9/20 0.48
MEN1 O00255 8/20 0.48
NPC1 O15118 8/20 0.48
RAB9A P51151 8/20 0.46
MAPT P10636 6/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
MYC P01106 1/20 0.46
TNNI3 P19429 1/20 0.46
TNNT2 P45379 1/20 0.46
TNNC1 P63316 1/20 0.46
KEAP1 Q14145 1/20 0.46
NFE2L2 Q16236 1/20 0.46
POLB P06746 3/20 0.46
CASP3 P42574 2/20 0.44
SENP8 Q96LD8 2/20 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
SCHEMBL3345552 1.00 MAPK1 (0.64) MAPK1ALDH1A1TDP1HSD17B10TSHR
SCHEMBL301282 0.83 ALDH1A1 (0.56) MAPK1ALDH1A1TDP1HSD17B10TSHR
SCHEMBL3123070 0.80 ALDH1A1 (0.60) MAPK1ALDH1A1TDP1HSD17B10TSHR
SCHEMBL10793484 0.79 ALDH1A1 (0.47) MAPK1ALDH1A1TDP1HSD17B10TSHR
SCHEMBL8982833 0.79 ALDH1A1 (1.00) MAPK1ALDH1A1TDP1HSD17B10TSHR
Dimethyl Yellow SCHEMBL187589 0.79 ALDH1A1 (1.00) MAPK1ALDH1A1TDP1HSD17B10TSHR
SCHEMBL10909165 0.79 ALDH1A1 (1.00) MAPK1ALDH1A1TDP1HSD17B10TSHR
SCHEMBL8982839 0.79 ALDH1A1 (1.00) MAPK1ALDH1A1TDP1HSD17B10TSHR
SCHEMBL8982830 0.79 ALDH1A1 (1.00) MAPK1ALDH1A1TDP1HSD17B10TSHR
SCHEMBL180055 0.79 ALDH1A1 (0.67) MAPK1ALDH1A1TDP1HSD17B10TSHR

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