SCHEMBL18262973

SCHEMBL18262973

COc1cc([N+](=O)[O-])ccc1-c1nn[nH]n1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.61
▸ MEN1 O00255 1/20 0.61
▸ ALOX12 P18054 1/20 0.61
▸ KMT2A Q03164 1/20 0.61
▸ KDM4C Q9H3R0 1/20 0.61
▸ XDH P47989 2/20 0.55
▸ ALDH1A1 P00352 2/20 0.51
▸ GAA P10253 1/20 0.51
▸ HTT P42858 2/20 0.50
▸ PKM P14618 2/20 0.47
▸ TDP1 Q9NUW8 1/20 0.46
▸ GPR35 Q9HC97 4/20 0.45
▸ STAT3 P40763 1/20 0.43

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
SCHEMBL30676032 0.85 ALDH1A1 (0.61) KDM4EMEN1ALOX12KMT2AKDM4C
SCHEMBL26926668 0.85 ALDH1A1 (0.61) KDM4EMEN1ALOX12KMT2AKDM4C
SCHEMBL26926346 0.83 KDM4E (0.55) KDM4EMEN1ALOX12KMT2AKDM4C
SCHEMBL30676042 0.83 KDM4E (0.55) KDM4EMEN1ALOX12KMT2AKDM4C
SCHEMBL26926475 0.82 KDM4E (0.54) KDM4EMEN1ALOX12KMT2AKDM4C
SCHEMBL30676033 0.82 KDM4E (0.54) KDM4EMEN1ALOX12KMT2AKDM4C
SCHEMBL30676045 0.82 MEN1 (0.56) KDM4EMEN1ALOX12KMT2AKDM4C
SCHEMBL26926176 0.82 MEN1 (0.56) KDM4EMEN1ALOX12KMT2AKDM4C
SCHEMBL18262990 0.80 KDM4E (0.81) KDM4EMEN1ALOX12KMT2AKDM4C
SCHEMBL30676055 0.78 KDM4E (0.55) KDM4EMEN1ALOX12KMT2AKDM4C

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-2016187667-A1 FUNCTIONALISED AND SUBSTITUTED INDOLES AS ANTI-CANCER AGENTS NOVOGEN LIMITED (AU) 2016-12-01 — — WO disclosed
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