SCHEMBL29974835

SCHEMBL29974835

N#Cc1ccc2nc(-c3cc(Br)nn3-c3ncccc3Cl)oc(=O)c2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 3/20 0.36
▸ C1R P00736 3/20 0.35
▸ KDM4E B2RXH2 3/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ KLK7 P49862 3/20 0.33
▸ KLK14 Q9P0G3 3/20 0.33
▸ KLK5 Q9Y337 3/20 0.33
▸ CTSG P08311 2/20 0.33
▸ PIM1 P11309 1/20 0.33
▸ CSNK2A2 P19784 1/20 0.33
▸ CSNK2B P67870 1/20 0.33
▸ PIM3 Q86V86 1/20 0.33
▸ PIM2 Q9P1W9 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ PRSS1 P07477 1/20 0.33

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 0.89 C1R (0.45) DHODHC1RKDM4EALDH1A1MEN1
SCHEMBL30749777 0.89 C1R (0.45) DHODHC1RKDM4EALDH1A1MEN1
SCHEMBL29975234 0.87 DHODH (0.38) DHODHC1RPIM1CSNK2A2CSNK2B
SCHEMBL12528819 0.87 KDM4E (0.47) DHODHC1RKDM4EALDH1A1MEN1
SCHEMBL29669886 0.85 DHODH (0.41) DHODHCYP1A2PIM1CSNK2A2CSNK2B
SCHEMBL465751 0.85 DHODH (0.41) DHODHCYP1A2PIM1CSNK2A2CSNK2B
SCHEMBL950583 0.81 DHODH (0.42) DHODHC1RKDM4EALDH1A1CYP1A2
SCHEMBL3328151 0.79 DHODH (0.40) DHODHC1R
SCHEMBL950250 0.79 DHODH (0.40) DHODHC1RALDH1A1KLK7KLK14
SCHEMBL950217 0.79 DHODH (0.41) DHODHC1RKMT2AELANEMAPT

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-118666829-A Preparation method of cyano-substituted benzoxazine-4-one derivative 江苏扬农化工股份有限公司 2024-09-20 — — CN claimed
CN-115385903-A Preparation method of cyano-substituted benzoxazine-4-one derivative 江苏扬农化工股份有限公司 2022-11-25 — — CN claimed
CN-118666829-A Preparation method of cyano-substituted benzoxazine-4-one derivative 江苏扬农化工股份有限公司 2024-09-20 — — CN disclosed
CN-118666829-A Preparation method of cyano-substituted benzoxazine-4-one derivative 江苏扬农化工股份有限公司 2024-09-20 — — CN disclosed
CN-115385903-A Preparation method of cyano-substituted benzoxazine-4-one derivative 江苏扬农化工股份有限公司 2022-11-25 — — CN disclosed
CN-115385903-A Preparation method of cyano-substituted benzoxazine-4-one derivative 江苏扬农化工股份有限公司 2022-11-25 — — CN disclosed
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