SCHEMBL30749777

SCHEMBL30749777

O=c1oc(-c2cc(Br)nn2-c2ncccc2Cl)nc2ccc(Cl)cc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ C1R P00736 5/20 0.45
▸ ALDH1A1 P00352 4/20 0.45
▸ KDM4E B2RXH2 4/20 0.45
▸ APEX1 P27695 2/20 0.39
▸ DHODH Q02127 2/20 0.38
▸ MEN1 O00255 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ POLB P06746 2/20 0.36
▸ MAPT P10636 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ CTSG P08311 2/20 0.35
▸ KLK7 P49862 2/20 0.35
▸ KLK14 Q9P0G3 2/20 0.35
▸ KLK5 Q9Y337 2/20 0.35
▸ PRSS1 P07477 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ PTK2B Q14289 1/20 0.34

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
SCHEMBL950868 1.00 C1R (0.45) C1RALDH1A1KDM4EAPEX1DHODH
SCHEMBL12528819 0.90 KDM4E (0.47) C1RALDH1A1KDM4EDHODHMEN1
SCHEMBL29974835 0.89 DHODH (0.36) C1RALDH1A1KDM4EDHODHMEN1
SCHEMBL950141 0.87 DHODH (0.39) C1RALDH1A1KDM4EDHODHPOLB
SCHEMBL950250 0.86 DHODH (0.40) C1RALDH1A1DHODHPOLBMAPT
SCHEMBL30749778 0.86 DHODH (0.40) C1RALDH1A1DHODHPOLBMAPT
SCHEMBL950869 0.85 C1R (0.43) C1RALDH1A1KDM4EAPEX1MEN1
SCHEMBL950583 0.84 DHODH (0.42) C1RALDH1A1KDM4EDHODHCYP1A2
SCHEMBL951320 0.83 DHODH (0.40) C1RDHODH
SCHEMBL465839 0.83 DHODH (0.43) ALDH1A1DHODHCYP1A2POLBMAPT

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
CN-117069711-A Preparation method of benzoxazine-4-one derivative 江苏扬农化工股份有限公司 2023-11-17 — — CN claimed
CN-117069711-A Preparation method of benzoxazine-4-one derivative 江苏扬农化工股份有限公司 2023-11-17 — — CN disclosed
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