SCHEMBL11243787

SCHEMBL11243787

NC(=O)COc1cccnc1Cn1ccnc1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 9/20 0.58
BRD4 O60885 4/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
ALDH1A1 P00352 2/20 0.45
PKM P14618 1/20 0.45
CYP11B1 P15538 2/20 0.44
CYP11B2 P19099 1/20 0.44
KDM4E B2RXH2 2/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CYP19A1 P11511 2/20 0.41

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
Hydrochloric Acid SCHEMBL11242521 0.87 TBXAS1 (0.71) TBXAS1BRD4L3MBTL1ALDH1A1PKM
SCHEMBL11233639 0.83 TBXAS1 (0.57) TBXAS1BRD4L3MBTL1ALDH1A1PKM
SCHEMBL11242787 0.81 TBXAS1 (0.50) TBXAS1BRD4CYP11B1CYP11B2POLB
SCHEMBL11407205 0.78 CYP11B1 (0.54) TBXAS1ALDH1A1CYP11B1CYP11B2KDM4E
SCHEMBL11405750 0.77 CYP19A1 (0.48) TBXAS1ALDH1A1CYP11B1CYP11B2LMNA
SCHEMBL11228730 0.77 CYP19A1 (0.51) TBXAS1BRD4CYP11B1CYP11B2LMNA
SCHEMBL11414669 0.76 FNTA (0.57) TBXAS1CYP11B1CYP11B2POLBMAPT
SCHEMBL11412353 0.76 ADRB2 (0.49) TBXAS1BRD4L3MBTL1ALDH1A1CYP11B1
SCHEMBL11406871 0.76 ALDH1A1 (0.47) TBXAS1BRD4L3MBTL1ALDH1A1CYP11B1
SCHEMBL11416852 0.76 CYP19A1 (0.49) TBXAS1BRD4L3MBTL1ALDH1A1CYP11B1

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
US-4339583-A (Imidazolylmethyl)pyridine compounds as thromboxane synthetase inhibitors PFIZER INC. (US) 1982-07-13 US disclosed
EP-0029742-A1 Imidazole derivatives, process for their preparation and pharmaceutical compositions thereof Pfizer Limited (GB) 1981-06-03 EP disclosed