SCHEMBL8986485

SCHEMBL8986485

Oc1ccccc1-c1nccn1-c1ccccc1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
HPGD P15428 2/20 0.49
HSD17B10 Q99714 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
HIF1A Q16665 1/20 0.49
IDO1 P14902 5/20 0.46
GAA P10253 1/20 0.40
HTT P42858 1/20 0.40
MAP2K1 Q02750 1/20 0.38
KDM4A O75164 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
XBP1 P17861 1/20 0.37
MAPK1 P28482 1/20 0.37
CYP19A1 P11511 1/20 0.36
KDM1A O60341 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL27719924 0.85 NPC1 (0.42) ALDH1A1HPGDHSD17B10CYP1A2CYP2D6
SCHEMBL11478349 0.77 SMN1; SMN2 (0.36) ALDH1A1HPGDHSD17B10CYP1A2CYP2D6
SCHEMBL10624672 0.75 IDO1 (0.49) ALDH1A1HPGDHSD17B10CYP1A2CYP2D6
SCHEMBL27531773 0.75 IDO1 (0.49) ALDH1A1HPGDHSD17B10CYP1A2CYP2D6
SCHEMBL877718 0.75 BRD4 (0.53) ALDH1A1HSD17B10IDO1MAP2K1KDM4A
SCHEMBL11764095 0.72 GAA (0.41) ALDH1A1HPGDHSD17B10IDO1GAA
SCHEMBL11878614 0.72 AKT1 (0.41) CYP1A2CYP2D6MAPT
SCHEMBL20829593 0.72 CYP19A1 (0.32) CYP19A1
SCHEMBL4730158 0.71 IDO1 (0.45) ALDH1A1IDO1GAAHTTMAPT
SCHEMBL11879205 0.71 AKT1 (0.49)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5496639-A Poly(arylene ether imidazole) surfacing films for flat and parabolic structures THE UNITED STATES OF AMERICA AS REPRESENTED BY THE ADMINISTRATOR OF THE NATIONAL AERONAUTICS AND SPACE ADMINISTRATION (US) 1996-03-05 US claimed
US-5116934-A Polyethers THE UNITED STATES OF AMERICA AS REPRESENTED BY THE ADMINISTRATOR OF THE NATIONAL AERONAUTICS AND SPACE ADMINISTRATION (US) 1992-05-26 US claimed
US-5066811-A Di(hydroxyphenyl)imidazole monomers used to make polyethers THE UNITED STATES OF AMERICA AS REPRESENTED BY THE ADMINISTRATOR OF THE NATIONAL AERONAUTICS AND SPACE ADMINISTRATION (US) 1991-11-19 US claimed
US-5116934-A Polyethers THE UNITED STATES OF AMERICA AS REPRESENTED BY THE ADMINISTRATOR OF THE NATIONAL AERONAUTICS AND SPACE ADMINISTRATION (US) 1992-05-26 US disclosed
US-5116934-A Polyethers THE UNITED STATES OF AMERICA AS REPRESENTED BY THE ADMINISTRATOR OF THE NATIONAL AERONAUTICS AND SPACE ADMINISTRATION (US) 1992-05-26 US disclosed
US-5066811-A Di(hydroxyphenyl)imidazole monomers used to make polyethers THE UNITED STATES OF AMERICA AS REPRESENTED BY THE ADMINISTRATOR OF THE NATIONAL AERONAUTICS AND SPACE ADMINISTRATION (US) 1991-11-19 US disclosed
US-5066811-A Di(hydroxyphenyl)imidazole monomers used to make polyethers THE UNITED STATES OF AMERICA AS REPRESENTED BY THE ADMINISTRATOR OF THE NATIONAL AERONAUTICS AND SPACE ADMINISTRATION (US) 1991-11-19 US disclosed