SCHEMBL9731132

SCHEMBL9731132

COc1ccccc1-c1nccn1-c1ccccc1OC

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 3/20 0.47
KMT2A Q03164 2/20 0.46
P2RX4 Q99571 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
GAA P10253 1/20 0.44
MEN1 O00255 1/20 0.43
HCAR1 Q9BXC0 1/20 0.42
KDM4E B2RXH2 4/20 0.41
KDR P35968 1/20 0.41
ALDH1A1 P00352 2/20 0.40
HSD17B10 Q99714 2/20 0.40
ALOX15 P16050 1/20 0.40
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2D6 P10635 2/20 0.40
CYP2C19 P33261 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL27949777 0.91 ATP4A (0.48) KCNN4KMT2AP2RX4KDM4EKDR
SCHEMBL28810308 0.84 P2RX4 (0.50) KMT2AP2RX4SMN1; SMN2GAAMEN1
SCHEMBL10904420 0.82 GAA (0.47) KMT2ASMN1; SMN2GAAMEN1HCAR1
SCHEMBL28050388 0.79 BRD4 (0.50) KCNN4KMT2ASMN1; SMN2KDM4EALDH1A1
SCHEMBL28265879 0.78 KMT2A (0.42) KCNN4KMT2ASMN1; SMN2KDM4EALDH1A1
SCHEMBL7426505 0.75 CYP1A2 (0.59) KMT2ASMN1; SMN2GAAMEN1HCAR1
SCHEMBL28807183 0.73 KDR (0.40) KMT2AP2RX4SMN1; SMN2GAAKDM4E
SCHEMBL11878614 0.72 AKT1 (0.41) CYP1A2CYP3A4CYP2D6CYP2C19LMNA
SCHEMBL15921161 0.72 SMN1; SMN2 (0.42) KMT2ASMN1; SMN2GAAMEN1HCAR1
SCHEMBL15921015 0.72 SMN1; SMN2 (0.42) KMT2ASMN1; SMN2GAAMEN1HCAR1

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-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