SCHEMBL28625053

SCHEMBL28625053

CCOS(=O)(=O)O[n+]1cc(C(=O)O)c2ccccc2n1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 7/20 0.44
▸ LMNA P02545 6/20 0.44
▸ SMN1; SMN2 Q16637 4/20 0.44
▸ NPC1 O15118 3/20 0.44
▸ RAB9A P51151 3/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ HPGD P15428 1/20 0.44
▸ TP53 P04637 2/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.41
▸ PDE10A Q9Y233 2/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ GLA P06280 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ MAPT P10636 3/20 0.38
▸ DHODH Q02127 3/20 0.38
▸ PKM P14618 1/20 0.37

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
SCHEMBL28627255 0.77 ELANE (0.31) KDM4ESMN1; SMN2MEN1KMT2AGLA
SCHEMBL22345500 0.73 KDM4E (0.38) KDM4ELMNASMN1; SMN2NPC1RAB9A
SCHEMBL22345501 0.68 POLB (0.37) KDM4ELMNASMN1; SMN2NPC1RAB9A
SCHEMBL22345448 0.68 DHODH (0.40) KDM4ELMNASMN1; SMN2NPC1RAB9A
SCHEMBL29563857 0.68 DHODH (0.40) KDM4ELMNASMN1; SMN2NPC1RAB9A
SCHEMBL9203821 0.66 KDM4E (0.64) KDM4ELMNASMN1; SMN2NPC1RAB9A
SCHEMBL8649365 0.64 KDM4E (0.77) KDM4ELMNASMN1; SMN2NPC1RAB9A
Phenazine SCHEMBL9174820 0.62 POLB (0.42) KDM4ELMNASMN1; SMN2NPC1ALDH1A1
Phenazine SCHEMBL1226523 0.62 POLB (0.42) KDM4ELMNASMN1; SMN2NPC1ALDH1A1
SCHEMBL15677329 0.62 CA12 (0.54) KDM4ESMN1; SMN2ALDH1A1POLB

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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