SCHEMBL674173

SCHEMBL674173

O=C(c1ccc(N(c2ccccc2)c2ccnc3ccccc23)cc1[N+](=O)[O-])N(c1ccccc1)c1ccc(N(c2ccccc2)c2ccncc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.36
ALDH1A1 P00352 7/20 0.35
KMT2A Q03164 5/20 0.35
MAPT P10636 4/20 0.35
KDM4E B2RXH2 2/20 0.35
USP2 O75604 1/20 0.35
THRB P10828 1/20 0.35
MAPK1 P28482 1/20 0.35
MCL1 Q07820 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
MEN1 O00255 3/20 0.33
CRHBP P24387 1/20 0.33
ATM Q13315 1/20 0.33
CRHR2 Q13324 1/20 0.33
TLR9 Q9NR96 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TP53 P04637 1/20 0.33
ERN1 O75460 1/20 0.33
CTSB P07858 2/20 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
SCHEMBL670281 0.74 USP2 (0.65) POLBALDH1A1KMT2AMAPTKDM4E
SCHEMBL13721083 0.73 CHKA (0.44) ALDH1A1MAPTKDM4ETDP1SMN1; SMN2
SCHEMBL13720934 0.73 CHKA (0.44) ALDH1A1MAPTKDM4ETDP1SMN1; SMN2
SCHEMBL13720644 0.73 CHKA (0.44) ALDH1A1MAPTKDM4ETDP1SMN1; SMN2
SCHEMBL13721289 0.73 CHKA (0.44) ALDH1A1MAPTKDM4ETDP1SMN1; SMN2
SCHEMBL14069635 0.71 NCF1 (0.46) ALDH1A1MAPTKDM4ESMN1; SMN2TP53
SCHEMBL16484719 0.70 NCF1 (0.47) ALDH1A1KMT2AMAPTKDM4EMAPK1
SCHEMBL13720496 0.68 KDM4E (0.41) POLBALDH1A1KMT2AMAPTKDM4E
SCHEMBL16484767 0.68 KDM4E (0.41) POLBALDH1A1KMT2AMAPTKDM4E
SCHEMBL13721521 0.68 KDM4E (0.41) POLBALDH1A1KMT2AMAPTKDM4E

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
WO-2012021991-A1 ANTI-VIRAL CARBAMIMIDOTHIOIC ACID ESTERS VERSITECH LIMITED (CN) 2012-02-23 WO disclosed