SCHEMBL23907012

SCHEMBL23907012

Cc1c(Br)c(=O)n(-c2ccccc2)n1C

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 3/20 0.64
ALOX15 P16050 2/20 0.64
ALDH1A1 P00352 2/20 0.64
PTGS2 P35354 1/20 0.64
LMNA P02545 2/20 0.62
ADORA3 P0DMS8 1/20 0.62
TSHR P16473 3/20 0.60
CYP1A2 P05177 2/20 0.60
THRB P10828 1/20 0.60
NAPRT Q6XQN6 1/20 0.60
KMT2A Q03164 4/20 0.57
MEN1 O00255 3/20 0.57
KDM4E B2RXH2 2/20 0.55
CYP2D6 P10635 1/20 0.55
POLB P06746 3/20 0.55
GAA P10253 1/20 0.55
MAPT P10636 1/20 0.55
G6PD P11413 1/20 0.55
MAPK1 P28482 1/20 0.55
HTT P42858 1/20 0.55

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
SCHEMBL23907006 0.90 BCHE (0.53) BCHEALOX15ALDH1A1PTGS2LMNA
SCHEMBL23907007 0.85 ALDH1A1 (0.46) BCHEALOX15ALDH1A1PTGS2LMNA
SCHEMBL3528653 0.82 KMT2A (0.51) BCHEALOX15ALDH1A1PTGS2LMNA
SCHEMBL23907025 0.82 GAA (0.48) BCHEALOX15ALDH1A1PTGS2LMNA
SCHEMBL2449608 0.81 ALOX15 (0.68) BCHEALOX15ALDH1A1PTGS2LMNA
SCHEMBL588715 0.81 ALDH1A1 (0.68) BCHEALOX15ALDH1A1PTGS2LMNA
SCHEMBL23907014 0.80 KMT2A (0.52) BCHEALOX15ALDH1A1PTGS2LMNA
SCHEMBL27660283 0.79 ALOX15 (0.66) BCHEALOX15ALDH1A1PTGS2LMNA
Hydrochloric Acid SCHEMBL28311112 0.79 ALOX15 (0.66) BCHEALOX15ALDH1A1PTGS2LMNA
SCHEMBL23907011 0.78 FPR2 (0.49) BCHEALOX15ALDH1A1PTGS2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118026938-B Pyrazolone ester compound and electrochemical synthesis method thereof 江西本草天工科技有限责任公司 2024-06-28 CN claimed
CN-118026938-A Pyrazolone ester compound and electrochemical synthesis method thereof 江西本草天工科技有限责任公司 2024-05-14 CN claimed
CN-116478181-A Catalytic synthesis method of chiral oxazoline compound 中国海洋大学 2023-07-25 CN claimed
EP-3892734-B1 SCREENING METHODS AND THERAPEUTIC APPLICATIONS BASED ON BACTERIAL MOTILITY INHIBITION UNIV MUENCHEN LUDWIG MAXIMILIANS (DE) 2024-08-28 EP disclosed
CN-118026938-B Pyrazolone ester compound and electrochemical synthesis method thereof 江西本草天工科技有限责任公司 2024-06-28 CN disclosed
CN-118026938-A Pyrazolone ester compound and electrochemical synthesis method thereof 江西本草天工科技有限责任公司 2024-05-14 CN disclosed
EP-3892734-A1 SCREENING METHODS AND THERAPEUTIC APPLICATIONS BASED ON BACTERIAL MOTILITY INHIBITION Ludwig-Maximilians-Universität München (DE) 2021-10-13 EP disclosed
CN-113166075-A Pyridazinone herbicides and pyridazinone intermediates for the preparation thereof FMC公司 2021-07-23 CN disclosed
CN-111574510-A Pyrimidinyloxybenzene derivatives as herbicides FMC 公司 2020-08-25 CN disclosed
CN-111018790-A Pyridazinone herbicides FMC公司 2020-04-17 CN disclosed
CN-106458926-B Pyridazinone herbicides FMC公司 2020-01-03 CN disclosed