SCHEMBL28032002

SCHEMBL28032002

NC(=O)C1C2C=CC(C2)C1C(=O)Nc1ccc(-c2ccc(N)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.53
ALDH1A1 P00352 5/20 0.52
GAA P10253 4/20 0.52
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
RAB9A P51151 3/20 0.50
NPC1 O15118 3/20 0.50
HPGD P15428 3/20 0.50
KDM4E B2RXH2 2/20 0.50
MAPT P10636 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
FPR2 P25090 4/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TSHR P16473 1/20 0.43
F13A1 P00488 1/20 0.42
TGM2 P21980 1/20 0.42

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
SCHEMBL5121095 0.88 POLB (0.50) POLBALDH1A1GAAMEN1KMT2A
SCHEMBL7599450 0.88 POLB (0.50) POLBALDH1A1GAAMEN1KMT2A
SCHEMBL20897153 0.84 POLB (0.57) POLBALDH1A1GAAMEN1KMT2A
SCHEMBL9013080 0.82 POLB (0.58) POLBALDH1A1GAAMEN1KMT2A
SCHEMBL20969059 0.82 POLB (0.58) POLBALDH1A1GAAMEN1KMT2A
SCHEMBL27636040 0.81 POLB (0.53) POLBALDH1A1GAAMEN1KMT2A
SCHEMBL28308589 0.71 ALDH1A1 (0.39) POLBALDH1A1GAAMEN1KMT2A
SCHEMBL9073184 0.71 ALDH1A1 (0.41) POLBALDH1A1GAAMEN1KMT2A
SCHEMBL2549326 0.71 ALDH1A1 (0.41) POLBALDH1A1GAAMEN1KMT2A
SCHEMBL22654023 0.71 TSHR (0.42) POLBALDH1A1GAAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112694608-B Six-arm polyethylene glycol derivative, preparation method and modified biological related substance 厦门赛诺邦格生物科技股份有限公司 2024-07-02 CN disclosed
CN-115010915-B Nitrogen-branched nine-arm polyethylene glycol derivative, preparation method and modified biologically-relevant substance thereof 厦门赛诺邦格生物科技股份有限公司 2024-06-11 CN disclosed
CN-106967213-B Eight-arm polyethylene glycol, preparation method, functionalized derivative and modified biologically-relevant substance 厦门赛诺邦格生物科技股份有限公司 2019-11-05 CN disclosed
CN-104877127-A Eight-armed polyethylene glycol derivative, preparation method and related biological substance modified by derivative XIAMEN SINOPEG BIOTECH CO LTD 2015-09-02 CN disclosed