SCHEMBL23643573

SCHEMBL23643573

C=CN(/C=C\C)Cc1ccc(COC(=O)OCc2ccc(Cn3ccnc3)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.44
TBXAS1 P24557 12/20 0.43
CYP1A2 P05177 2/20 0.42
USP2 O75604 1/20 0.42
LMNA P02545 1/20 0.42
MEN1 O00255 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
KMT2A Q03164 1/20 0.42
CYP11B1 P15538 2/20 0.41
CYP11B2 P19099 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
SCHEMBL20601853 0.81 CYP19A1 (0.62) CYP19A1TBXAS1CYP1A2USP2LMNA
SCHEMBL22063899 0.73 CYP19A1 (0.57) CYP19A1TBXAS1CYP1A2CYP3A4CYP2D6
SCHEMBL20623014 0.72 TBXAS1 (0.62) CYP19A1TBXAS1CYP1A2USP2LMNA
SCHEMBL20601870 0.70 CYP19A1 (0.66) CYP19A1TBXAS1MEN1KMT2ACYP11B1
SCHEMBL22064348 0.69 CYP19A1 (0.60) CYP19A1TBXAS1CYP11B1CYP11B2
SCHEMBL23643821 0.66 TBXAS1 (0.55) CYP19A1TBXAS1CYP1A2CYP3A4CYP2D6
SCHEMBL22746812 0.66 CYP11B1 (0.67) CYP19A1TBXAS1CYP1A2CYP3A4CYP2D6
SCHEMBL1024261 0.66 CYP11B1 (0.84) CYP19A1TBXAS1CYP1A2CYP3A4CYP2D6
SCHEMBL11474932 0.65 TBXAS1 (0.67) CYP19A1TBXAS1CYP1A2USP2LMNA
SCHEMBL30928338 0.65 CYP19A1 (0.56) CYP19A1TBXAS1CYP1A2USP2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3621955-B1 DEGRADABLE IMIDAZOLIUM OLIGOMER AND POLYMER FOR ANTIMICROBIAL APPLICATIONS AGENCY SCIENCE TECH & RES (SG) 2021-07-14 EP disclosed