SCHEMBL21636282

SCHEMBL21636282

Nc1cccc(P(=O)(c2ccccc2)c2ccccc2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 0.52
CYP3A4 P08684 1/20 0.46
CASP1 P29466 1/20 0.46
RECQL P46063 1/20 0.46
PBRM1 Q86U86 1/20 0.44
MAOB P27338 4/20 0.42
LMNA P02545 3/20 0.42
TDP1 Q9NUW8 3/20 0.42
CYP19A1 P11511 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
GFER P55789 1/20 0.42
KMT2A Q03164 1/20 0.42
TSHR P16473 1/20 0.42
MECP2 P51608 1/20 0.40
CA2 P00918 2/20 0.39
CA4 P22748 1/20 0.39
CA5A P35218 1/20 0.39

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
SCHEMBL1536240 1.00 MAOA (0.52) MAOACYP3A4CASP1RECQLPBRM1
SCHEMBL29881584 1.00 MAOA (0.52) MAOACYP3A4CASP1RECQLPBRM1
SCHEMBL30471399 0.93 CYP3A4 (0.52) MAOACYP3A4CASP1RECQLPBRM1
SCHEMBL9688354 0.93 CYP3A4 (0.52) MAOACYP3A4CASP1RECQLPBRM1
SCHEMBL23952138 0.84 HPGD (0.47) MAOACYP3A4CASP1RECQLLMNA
SCHEMBL4323677 0.84 CYP3A4 (0.39) MAOACYP3A4CASP1RECQLLMNA
SCHEMBL3181571 0.84 LMNA (0.48) LMNATDP1KDM4EMEN1GAA
SCHEMBL14020788 0.84 LMNA (0.48) LMNATDP1KDM4EMEN1GAA
SCHEMBL7152607 0.80 PTGS1 (0.52) TSHRCA12CA1
SCHEMBL11595382 0.79 CYP3A4 (0.52) MAOACYP3A4MAOBLMNATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111592568-B Derivative of flame-retardant environment-friendly diphenylmethane diisocyanate and synthetic method thereof 万华节能科技集团股份有限公司 2021-09-28 CN claimed
EP-4400559-A1 LIGHT-EMITTING DEVICE INCLUDING ORGANOMETALLIC COMPOUND, ELECTRONIC APPARATUS INCLUDING THE LIGHT-EMITTING DEVICE, AND THE ORGANOMETALLIC COMPOUND Samsung Display Co., Ltd. (KR) 2024-07-17 EP disclosed
EP-4210454-A1 LIGHT-EMITTING DEVICE AND ELECTRONIC APPARATUS INCLUDING THE SAME Samsung Display Co., Ltd. (KR) 2023-07-12 EP disclosed
EP-4210450-A2 LIGHT-EMITTING DEVICE AND ELECTRONIC APPARATUS INCLUDING THE SAME Samsung Display Co., Ltd. (KR) 2023-07-12 EP disclosed
EP-3882253-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME Samsung Display Co., Ltd. (KR) 2021-09-22 EP disclosed
WO-2020016233-A1 COMPOUND AND ORGANIC SEMICONDUCTING LAYER, ORGANIC ELECTRONIC DEVICE, DISPLAY DEVICE AND LIGHTING DEVICE COMPRISING THE SAME NOVALED GMBH (DE) 2020-01-23 WO disclosed