SCHEMBL28641215

SCHEMBL28641215

COC(=O)c1c[n+](C)nc2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.52
▸ MEN1 O00255 6/20 0.45
▸ KMT2A Q03164 6/20 0.45
▸ ALDH1A1 P00352 5/20 0.44
▸ PKM P14618 2/20 0.44
▸ LMNA P02545 2/20 0.44
▸ HPGD P15428 2/20 0.44
▸ MAPK1 P28482 2/20 0.44
▸ TDP1 Q9NUW8 2/20 0.44
▸ PLIN1 O60240 1/20 0.44
▸ GLA P06280 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ PLIN5 Q00G26 1/20 0.44
▸ MCL1 Q07820 1/20 0.44
▸ ABHD5 Q8WTS1 1/20 0.44
▸ DHODH Q02127 1/20 0.44
▸ USP2 O75604 1/20 0.43
▸ NR4A2 P43354 3/20 0.43
▸ CREBBP Q92793 1/20 0.43
▸ TSHR P16473 3/20 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
Sulfuric Acid SCHEMBL22345449 0.96 KDM4E (0.49) KDM4EMEN1KMT2AALDH1A1PKM
SCHEMBL22345448 0.79 DHODH (0.40) KDM4EMEN1KMT2AALDH1A1PKM
SCHEMBL29563857 0.79 DHODH (0.40) KDM4EMEN1KMT2AALDH1A1PKM
SCHEMBL28923016 0.77 KMT2A (0.36) KDM4EMEN1KMT2AALDH1A1HPGD
Iodide SCHEMBL22345512 0.76 KMT2A (0.35) KDM4EMEN1KMT2AUSP2L3MBTL1
SCHEMBL22345593 0.75 BBOX1 (0.44) KDM4EMEN1KMT2AALDH1A1TP53
SCHEMBL22345591 0.75 BBOX1 (0.44) KDM4EMEN1KMT2AALDH1A1TP53
SCHEMBL14518623 0.74 MEN1 (0.72) KDM4EMEN1KMT2AALDH1A1PKM
Iodide SCHEMBL22345356 0.74 BBOX1 (0.43) KDM4EMEN1KMT2AALDH1A1TP53
Iodide SCHEMBL22345354 0.74 BBOX1 (0.43) KDM4EMEN1KMT2ATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113423694-A Cinnolinium compounds for use in a method for controlling unwanted plant growth 先正达农作物保护股份公司 2021-09-21 — — CN disclosed
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