SCHEMBL4912834

SCHEMBL4912834

O=[N+]([O-])c1ccc(C=Nc2cccc3c(N=Cc4ccc([N+](=O)[O-])cc4)cccc23)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.55
▸ KDM4E B2RXH2 3/20 0.55
▸ ALDH1A1 P00352 3/20 0.55
▸ MEN1 O00255 2/20 0.55
▸ KMT2A Q03164 2/20 0.55
▸ HPGD P15428 1/20 0.55
▸ MAOB P27338 1/20 0.51
▸ PTGS2 P35354 2/20 0.50
▸ CA12 O43570 1/20 0.50
▸ CA1 P00915 1/20 0.50
▸ CA2 P00918 1/20 0.50
▸ CA9 Q16790 1/20 0.50
▸ G6PD P11413 1/20 0.48
▸ GRIN2D O15399 2/20 0.47
▸ GRIN3B O60391 2/20 0.47
▸ GRIN1 Q05586 2/20 0.47
▸ GRIN2A Q12879 2/20 0.47
▸ GRIN2B Q13224 2/20 0.47
▸ GRIN2C Q14957 2/20 0.47
▸ GRIN3A Q8TCU5 2/20 0.47

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
SCHEMBL4912821 1.00 MAPT (0.55) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL9175025 0.81 ALDH1A1 (0.56) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL6825490 0.81 CDK2 (0.58) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL12443115 0.81 CDK2 (0.58) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL14164182 0.77 CA1 (0.76) MAPTKDM4EALDH1A1KMT2APTGS2
SCHEMBL8094327 0.77 CA1 (0.76) MAPTKDM4EALDH1A1KMT2APTGS2
SCHEMBL444243 0.76 PTGS2 (0.65) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL444244 0.76 PTGS2 (0.65) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL13898703 0.75 MAOB (0.54) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL3847938 0.75 MAOB (0.54) MAPTKDM4EALDH1A1MEN1KMT2A

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-20080146772-A1 MATERIALS AND METHODS FOR CO-CRYSTAL CONTROLLED SOLID-STATE SYNTHESIS OF IMIDES AND IMINES UNIVERSITY OF SOUTH FLORIDA (US) 2008-06-19 — — US disclosed
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