SCHEMBL3373512

SCHEMBL3373512

CCCCc1ccc2c(c1)c([N+](=O)[O-])cc[n+]2[O-]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.37
MITF O75030 1/20 0.37
KCNH2 Q12809 1/20 0.35
STING1 Q86WV6 1/20 0.35
PLK1 P53350 1/20 0.35
PLK3 Q9H4B4 1/20 0.35
EIF4A1 P60842 3/20 0.35
CA2 P00918 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SKP2 Q13309 1/20 0.34
VCAM1 P19320 2/20 0.34
POLB P06746 1/20 0.34
PKM P14618 1/20 0.34
ALDH1A1 P00352 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
S1PR4 O95977 1/20 0.33
S1PR1 P21453 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
SCHEMBL3341802 0.76 TSHR (0.49) MAPTMITFSMN1; SMN2ALDH1A1TDP1
SCHEMBL11821757 0.74 SKP2 (0.43) CA2SMN1; SMN2SKP2POLBALDH1A1
SCHEMBL83731 0.72 ALDH1A1 (0.50) MAPTKCNH2STING1PLK1CA2
SCHEMBL12708634 0.71 ALDH1A1 (0.50) MAPTKCNH2CA2SMN1; SMN2SKP2
SCHEMBL11490171 0.70 MAPT (0.54) MAPTKCNH2STING1CA2SMN1; SMN2
SCHEMBL9513445 0.70 VCAM1 (0.55) VCAM1POLBALDH1A1KDM4E
SCHEMBL28185595 0.70 TSHR (0.51) MAPTKCNH2STING1CA2SMN1; SMN2
SCHEMBL1025706 0.70 POLB (0.51) MAPTCA2SMN1; SMN2POLBALDH1A1
SCHEMBL2647110 0.70 SKP2 (0.56) MAPTKCNH2CA2SMN1; SMN2SKP2
4-Nitroquinoline-1-Oxide SCHEMBL105454 0.69 MAPT (0.56) MAPTMITFPOLBALDH1A1TDP1

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