SCHEMBL28599111

SCHEMBL28599111

CC(=O)OOc1ccc(Br)cc1.[NaH]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
LMNA P02545 3/20 0.46
MAPT P10636 3/20 0.46
RAB9A P51151 2/20 0.46
MAPK1 P28482 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
LDHA P00338 1/20 0.42
MAOB P27338 4/20 0.42
ALDH1A1 P00352 3/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
TSHR P16473 1/20 0.39
CYP2C19 P33261 1/20 0.39
CYP1A2 P05177 1/20 0.38
MAOA P21397 3/20 0.38
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
CA1 P00915 1/20 0.36

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
SCHEMBL21612930 0.98 MEN1 (0.47) MEN1KMT2ALMNAMAPTRAB9A
SCHEMBL3364623 0.81 LMNA (0.59) LMNAMAPTMAOBALDH1A1TSHR
SCHEMBL27406073 0.79 HPGD (0.46) MEN1KMT2ALMNAMAPTMAOB
SCHEMBL10438873 0.78 LMNA (0.61) LMNAMAPTMAOBALDH1A1TSHR
SCHEMBL6200881 0.78 MEN1 (0.44) MEN1KMT2ALMNAMAPTALDH1A1
SCHEMBL8586307 0.78 CES2 (0.52) MEN1KMT2ALMNAMAPTRAB9A
SCHEMBL11245363 0.78 ELANE (0.44) LMNAMAPTALDH1A1TSHRCES2
SCHEMBL28599109 0.78 LMNA (0.61) MEN1KMT2ALMNAMAPTRAB9A
SCHEMBL11300560 0.77 LDHA (0.44) MEN1KMT2ALMNAMAPTRAB9A
SCHEMBL156135 0.77 HPGD (0.47) MEN1KMT2ALMNAMAPTMAOB

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-110881468-B Crop growth regulator composition and application thereof 郑州郑氏化工产品有限公司 2021-07-30 CN disclosed
CN-110881468-A Crop growth regulator composition and application thereof 郑州郑氏化工产品有限公司 2020-03-17 CN disclosed