SCHEMBL8701481

SCHEMBL8701481

O=C(Oc1ccc([N+](=O)[O-])cc1)c1ccccn1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.62
MEN1 O00255 2/20 0.62
KDM4E B2RXH2 5/20 0.61
ALDH1A1 P00352 5/20 0.61
GAA P10253 4/20 0.61
MAPT P10636 10/20 0.59
POLB P06746 1/20 0.59
RAB9A P51151 5/20 0.57
L3MBTL1 Q9Y468 4/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
NPC1 O15118 3/20 0.57
PKM P14618 2/20 0.57
HTT P42858 2/20 0.52
MITF O75030 1/20 0.52
LMNA P02545 1/20 0.52
AGTR1 P30556 1/20 0.52
OPRK1 P41145 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
KLF5 Q13887 1/20 0.51
MAPK1 P28482 1/20 0.50

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
SCHEMBL7414455 0.89 MEN1 (0.57) KMT2AMEN1KDM4EALDH1A1GAA
SCHEMBL7508432 0.83 MAPT (0.61) KMT2AMEN1KDM4EALDH1A1GAA
SCHEMBL22364415 0.83 KMT2A (0.51) KMT2AMEN1KDM4EALDH1A1GAA
SCHEMBL8705860 0.81 MAPT (0.63) KMT2AKDM4EALDH1A1GAAMAPT
SCHEMBL3961211 0.81 MAPT (0.69) KMT2AKDM4EALDH1A1GAAMAPT
SCHEMBL30185288 0.81 MAPT (0.69) KMT2AKDM4EALDH1A1GAAMAPT
SCHEMBL27668680 0.80 KDM4E (0.54) KMT2AMEN1KDM4EALDH1A1GAA
SCHEMBL8939375 0.80 MAPT (0.58) KMT2AMEN1KDM4EALDH1A1GAA
SCHEMBL17674189 0.79 ALDH1A1 (0.58) KMT2AMEN1KDM4EALDH1A1GAA
SCHEMBL5258714 0.78 MAPT (0.66) KMT2AMEN1KDM4EALDH1A1GAA

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108602820-A Hetero-1, 5,6, 7-tetrahydro-4H-indol-4-ones 拜耳制药股份公司 2018-09-28 CN disclosed
WO-2012075562-A1 MICROSPORE TRANSFORMATION METHODOLOGY BY MACROINJECTION NATIONAL RESEARCH COUNCIL OF CANADA (CA) 2012-06-14 WO disclosed
US-5763404-A LUTEINIZING HORMONE RELEASING HORMONE UNIV TEXAS (US) 1998-06-09 US disclosed
US-5470947-A Lutenizing hormone-releasing hormone, contraceptives BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1995-11-28 US disclosed
EP-0377665-B1 EFFECTIVE ANTAGONISTS OF THE LUTEINIZING HORMONE RELEASING HORMONE WHICH RELEASE NEGLIGIBLE HISTAMINE UNIV TEXAS (US) 1995-07-12 EP disclosed
EP-0377665-A1 EFFECTIVE ANTAGONISTS OF THE LUTEINIZING HORMONE RELEASING HORMONE WHICH RELEASE NEGLIGIBLE HISTAMINE. UNIV TEXAS (US) 1990-07-18 EP disclosed
US-4935491-A CONTRACEPTIVES WITH REDUCED SIDE EFFECTS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1990-06-19 US disclosed
WO-1989001944-A1 EFFECTIVE ANTAGONISTS OF THE LUTEINIZING HORMONE RELEASING HORMONE WHICH RELEASE NEGLIGIBLE HISTAMINE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1989-03-09 WO disclosed