SCHEMBL28510315

SCHEMBL28510315

N#CCC(c1ccccc1)C(O[PH](=O)OC(C(CC#N)c1ccccc1)C(CC#N)c1ccccc1)C(CC#N)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PBRM1 Q86U86 1/20 0.42
TRPA1 O75762 1/20 0.36
TSHR P16473 1/20 0.32
CTSS P25774 2/20 0.31
TAAR1 Q96RJ0 1/20 0.31
CTSK P43235 1/20 0.31
PNP P00491 1/20 0.30
CTSL P07711 1/20 0.30
BRD4 O60885 1/20 0.30

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
SCHEMBL28510317 0.87 PBRM1 (0.40) PBRM1TRPA1TSHRCTSSCTSK
SCHEMBL28529101 0.79 PBRM1 (0.41) PBRM1TRPA1TSHRCTSSCTSK
SCHEMBL11022144 0.72 TRPA1 (0.50) PBRM1TRPA1TSHRTAAR1
SCHEMBL27704927 0.71 TRPA1 (0.48) PBRM1TRPA1TSHRTAAR1
SCHEMBL19762907 0.71 TAAR1 (0.55) PBRM1TRPA1TSHRTAAR1
SCHEMBL10509394 0.68 TRPA1 (0.41) PBRM1TRPA1TSHRTAAR1
SCHEMBL4859412 0.68 KMT2A (0.50) PBRM1TSHRCTSSCTSKCTSL
Water SCHEMBL5164513 0.67 PBRM1 (0.47) PBRM1TRPA1TSHRTAAR1PNP
SCHEMBL3952853 0.67 PBRM1 (0.47) PBRM1TRPA1TSHRTAAR1PNP
SCHEMBL7739376 0.67 MMP8 (0.47) TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109137124-B Preparation method of flame-retardant fabric 昱天(上海)新材料有限公司 2020-12-22 CN claimed
CN-109137124-B Preparation method of flame-retardant fabric 昱天(上海)新材料有限公司 2020-12-22 CN disclosed
CN-109137124-B Preparation method of flame-retardant fabric 昱天(上海)新材料有限公司 2020-12-22 CN disclosed