SCHEMBL29371018

SCHEMBL29371018

COc1cc(N)cc(Cl)c1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.55
TP53 P04637 1/20 0.55
ALDH1A1 P00352 5/20 0.46
TDP1 Q9NUW8 2/20 0.42
MAPK1 P28482 1/20 0.42
CYP19A1 P11511 2/20 0.39
AHR P35869 1/20 0.39
NQO2 P16083 1/20 0.39
KDM1A O60341 1/20 0.39
HTR6 P50406 1/20 0.39
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CYP1A1 P04798 1/20 0.36
CYP1B1 Q16678 1/20 0.36
GAA P10253 1/20 0.35
NPC1 O15118 1/20 0.35

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
SCHEMBL291988 1.00 CYP3A4 (0.55) CYP3A4TP53ALDH1A1TDP1MAPK1
SCHEMBL116606 0.82 ALDH1A1 (0.69) CYP3A4ALDH1A1TDP1MAPK1CYP19A1
SCHEMBL5800828 0.82 ALDH1A1 (0.59) CYP3A4ALDH1A1TDP1MAPK1CYP19A1
SCHEMBL811578 0.82 ALDH1A1 (0.59) CYP3A4TP53ALDH1A1AHRHPGD
SCHEMBL21263 0.82 ALDH1A1 (0.69) CYP3A4ALDH1A1CYP19A1AHRNQO2
SCHEMBL7190886 0.80 CYP3A4 (0.60) CYP3A4TP53ALDH1A1TDP1HPGD
Ammonia Solution, Strong SCHEMBL10988442 0.79 ALDH1A1 (0.65) CYP3A4ALDH1A1TDP1MAPK1CYP19A1
SCHEMBL21611343 0.79 ALDH1A1 (0.65) CYP3A4ALDH1A1TDP1MAPK1CYP19A1
SCHEMBL1816933 0.79 ALDH1A1 (0.65) CYP3A4ALDH1A1CYP19A1AHRNQO2
Hydrochloric Acid SCHEMBL3275940 0.79 ALDH1A1 (0.65) CYP3A4ALDH1A1TDP1MAPK1CYP19A1

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
EP-4188933-A1 COMPOUNDS Esfam Biotech Pty Ltd. (AU) 2023-06-07 EP disclosed
EP-3983386-A1 ACSS2 INHIBITORS AND METHODS OF USE THEREOF Metabomed Ltd (IL) 2022-04-20 EP disclosed
WO-2022020888-A1 COMPOUNDS Esfam Biotech Pty Ltd (AU) 2022-02-03 WO disclosed
WO-2022020889-A1 METHOD OF TREATMENT OF CYTOMEGALOVIRUS Esfam Biotech Pty Ltd (AU) 2022-02-03 WO disclosed
WO-2022020890-A1 TREATMENT OF VETERINARY CONDITIONS ASSOCIATED WITH CD151 Esfam Biotech Pty Ltd (AU) 2022-02-03 WO disclosed
WO-2022020887-A1 TREATMENT OF CD151 RELATED DISORDERS Esfam Biotech Pty Ltd (AU) 2022-02-03 WO disclosed
WO-2022020891-A1 METHODS OF PROPHYLAXIS AND TREATMENT OF CORONA VIRUS Esfam Biotech Pty Ltd (AU) 2022-02-03 WO disclosed