SCHEMBL5567717

SCHEMBL5567717

CC(=O)c1[nH]c2ccccc2c1Nc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 7/20 0.50
▸ KMT2A Q03164 7/20 0.50
▸ MAPT P10636 4/20 0.50
▸ KDM4E B2RXH2 3/20 0.50
▸ MAPK1 P28482 2/20 0.50
▸ GLA P06280 1/20 0.50
▸ HTT P42858 1/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ ALDH1A1 P00352 2/20 0.48
▸ CXCR2 P25025 1/20 0.48
▸ L3MBTL1 Q9Y468 2/20 0.47
▸ HPGD P15428 1/20 0.47
▸ ALOX12 P18054 1/20 0.47
▸ LMNA P02545 2/20 0.46
▸ GAA P10253 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ VDR P11473 2/20 0.43
▸ POLB P06746 1/20 0.43
▸ PKM P14618 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
SCHEMBL7654375 0.89 MEN1 (0.54) MEN1KMT2AMAPTKDM4EMAPK1
SCHEMBL12652827 0.77 KMT2A (0.52) MEN1KMT2AMAPTKDM4EMAPK1
SCHEMBL14602583 0.73 KDM4E (0.58) MEN1KMT2AMAPTKDM4EHTT
SCHEMBL10465215 0.72 MEN1 (0.65) MEN1KMT2AMAPTKDM4EHTT
SCHEMBL15859393 0.71 GRIN2D (0.49) MEN1KMT2AMAPTKDM4EMAPK1
Carbazole SCHEMBL27552113 0.71 CTSV (0.67) MEN1KMT2AKDM4EGLAHTT
Hydrochloric Acid SCHEMBL2456350 0.71 GRIN2D (0.50) MEN1KMT2AMAPTKDM4EMAPK1
Hydrochloric Acid SCHEMBL2456353 0.70 MEN1 (0.47) MEN1KMT2AMAPTKDM4EMAPK1
SCHEMBL14550190 0.70 MEN1 (0.47) MEN1KMT2AMAPTKDM4EMAPK1
SCHEMBL17117303 0.68 KMT2A (0.63) MEN1KMT2AMAPTKDM4EMAPK1

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
EP-1751154-A1 5-SUBSTITUTED 1-PHENYL-1,5-DIHYDRO-PYRIDO[3,2-B] INDOL-2-ONES AND ANALOGS AS ANTI-VIRALS Tibotec Pharmaceuticals Ltd. (IE) 2007-02-14 — — EP disclosed
WO-2005111034-A1 5-SUBSTITUTED 1-PHENYL-1,5-DIHYDRO-PYRIDO’3,2-B! INDOL-2-ONES AND ANALOGS AS ANTI-VIRALS TIBOTEC PHARMACEUTICALS LTD. (IE) 2005-11-24 — — WO disclosed
Send feedback