SCHEMBL20623015

SCHEMBL20623015

NC(=O)NCc1ccc(Cn2ccnc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 7/20 0.58
CYP11B2 P19099 6/20 0.58
TBXAS1 P24557 5/20 0.57
CYP19A1 P11511 6/20 0.56
CYP2A6 P11509 1/20 0.55
CYP2B6 P20813 1/20 0.55
CYP1A2 P05177 2/20 0.53
USP2 O75604 1/20 0.53
LMNA P02545 1/20 0.53
MEN1 O00255 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C19 P33261 1/20 0.53
KMT2A Q03164 1/20 0.53
WDR5 P61964 1/20 0.53

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
SCHEMBL20602561 0.88 CYP11B1 (0.61) CYP11B1CYP11B2TBXAS1CYP19A1CYP2A6
SCHEMBL16216270 0.85 CYP11B1 (0.58) CYP11B1CYP11B2TBXAS1CYP19A1CYP2A6
SCHEMBL10752632 0.80 TBXAS1 (0.72) TBXAS1LMNAMEN1KMT2A
SCHEMBL31481149 0.80 TBXAS1 (0.64) CYP11B1CYP11B2TBXAS1CYP19A1CYP2A6
SCHEMBL6302514 0.80 CYP19A1 (0.68) CYP11B1CYP11B2TBXAS1CYP19A1CYP2A6
SCHEMBL22064255 0.80 TBXAS1 (0.68) CYP11B1CYP11B2TBXAS1CYP19A1CYP2A6
SCHEMBL23747316 0.79 NAMPT (0.67) CYP11B1CYP11B2CYP19A1CYP2A6CYP2B6
SCHEMBL1024261 0.79 CYP11B1 (0.84) CYP11B1CYP11B2TBXAS1CYP19A1CYP2A6
SCHEMBL9193425 0.78 CYP11B1 (0.56) CYP11B1CYP11B2TBXAS1CYP19A1CYP2A6
Hydrochloric Acid SCHEMBL5089053 0.78 WDR5 (0.54) CYP19A1MEN1KMT2AWDR5

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
EP-3621955-B1 DEGRADABLE IMIDAZOLIUM OLIGOMER AND POLYMER FOR ANTIMICROBIAL APPLICATIONS AGENCY SCIENCE TECH & RES (SG) 2021-07-14 EP disclosed
WO-2019004940-A1 DEGRADABLE IMIDAZOLIUM OLIGOMER AND POLYMER FOR ANTIMICROBIAL APPLICATIONS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2019-01-03 WO disclosed