SCHEMBL11742024

SCHEMBL11742024

Cc1c(Cl)cc(C(=O)CCC(=O)O)cc1Br

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.46
▸ USP5 P45974 1/20 0.42
▸ NR4A2 P43354 1/20 0.42
▸ SLC22A12 Q96S37 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ CYP2C19 P33261 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ IMPDH2 P12268 2/20 0.38
▸ CYP1A2 P05177 2/20 0.38
▸ HPGD P15428 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ FFAR1 O14842 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ HIF1A Q16665 1/20 0.38
▸ PKM P14618 1/20 0.36
▸ TSHR P16473 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
SCHEMBL8688169 0.88 KMT2A (0.53) KMT2AUSP5NR4A2SLC22A12ALDH1A1
SCHEMBL11733812 0.88 KMT2A (0.53) KMT2AUSP5NR4A2ALDH1A1CYP2C19
SCHEMBL5629846 0.79 TTR (0.52) ALDH1A1TSHR
SCHEMBL11743403 0.77 NR4A2 (0.52) KMT2AUSP5NR4A2ALDH1A1CYP2C19
SCHEMBL11089924 0.77 USP5 (0.49) KMT2AUSP5NR4A2SLC22A12ALDH1A1
SCHEMBL11736603 0.77 KMT2A (0.49) KMT2AUSP5NR4A2SLC22A12ALDH1A1
SCHEMBL11741738 0.75 TTR (0.57) KMT2AUSP5NR4A2ALDH1A1CYP2C19
SCHEMBL3626525 0.75 TTR (0.57) KMT2AUSP5NR4A2ALDH1A1CYP2C19
SCHEMBL5375163 0.75 NR4A2 (0.54) KMT2AUSP5NR4A2ALDH1A1CYP2C19
SCHEMBL11743022 0.75 USP5 (0.46) KMT2AUSP5NR4A2SLC22A12ALDH1A1

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
US-4052395-A AGRICULTURAL FUNGICIDAL COMPOSITIONS CONTAINING 6-(SUBSTITUTED PHENYL)-PYRIDAZINONES AND SAID PYRIDAZINONES SANKYO COMPANY LIMITED (JA) 1977-10-04 — — US disclosed
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