SCHEMBL3341806

SCHEMBL3341806

CCc1c[n+]([O-])ccc1[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 2/20 0.39
POLB P06746 1/20 0.39
HTT P42858 1/20 0.39
PDK1 Q15118 1/20 0.36
TDP1 Q9NUW8 2/20 0.35
SNCA P37840 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
LMNA P02545 2/20 0.35
MAPT P10636 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
GAA P10253 1/20 0.35
ALPG P10696 1/20 0.35
HSD17B10 Q99714 1/20 0.34
VCAM1 P19320 2/20 0.33
TXNRD1 Q16881 2/20 0.33
KDM4E B2RXH2 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL15804255 0.78 CYP3A4 (0.39) ALDH1A1HPGDTSHRPOLBTDP1
SCHEMBL4726250 0.78 MAPT (0.43) ALDH1A1HPGDPOLBHTTTDP1
SCHEMBL172188 0.77 HSD17B10 (0.50) ALDH1A1HPGDTSHRHTTTDP1
SCHEMBL30563095 0.77 HSD17B10 (0.50) ALDH1A1HPGDTSHRHTTTDP1
SCHEMBL3057719 0.76 LMNA (0.50) ALDH1A1POLBHTTLMNAMAPT
SCHEMBL3888217 0.75 HTT (0.51) ALDH1A1HPGDTSHRPOLBHTT
SCHEMBL21067091 0.74 NPC1 (0.46) ALDH1A1TDP1MEN1KMT2ALMNA
SCHEMBL10547254 0.73 GPR35 (0.46) ALDH1A1HPGDTSHRTDP1SNCA
SCHEMBL741363 0.73 ALDH1A1 (0.36) ALDH1A1HTTTDP1MEN1KMT2A
SCHEMBL8568031 0.73 TDP1 (0.47) ALDH1A1TSHRPOLBTDP1MEN1

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