SCHEMBL29907228

SCHEMBL29907228

C=CC=CC(=O)Nc1ccccc1C(=O)Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.48
▸ ALDH1A1 P00352 5/20 0.48
▸ HPGD P15428 3/20 0.48
▸ TRPA1 O75762 5/20 0.46
▸ TRPM8 Q7Z2W7 3/20 0.46
▸ SMN1; SMN2 Q16637 6/20 0.46
▸ HTT P42858 3/20 0.46
▸ RECQL P46063 2/20 0.46
▸ MEN1 O00255 5/20 0.45
▸ NPC1 O15118 5/20 0.45
▸ RAB9A P51151 5/20 0.45
▸ KMT2A Q03164 5/20 0.45
▸ CASP3 P42574 1/20 0.45
▸ SENP7 Q9BQF6 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ TRPM2 O94759 1/20 0.43
▸ LTB4R Q15722 1/20 0.43
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2C19 P33261 1/20 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
SCHEMBL28836888 0.75 ALDH1A1 (0.42) KDM4EALDH1A1HPGDSMN1; SMN2HTT
SCHEMBL27746205 0.74 MAPT (0.41) KDM4EALDH1A1HPGDSMN1; SMN2HTT
SCHEMBL11791067 0.74 ALDH1A1 (0.48) KDM4EALDH1A1HPGDHTTMEN1
SCHEMBL30774834 0.71 CYP2C19 (0.65) KDM4EALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL554584 0.71 CYP2C19 (0.65) KDM4EALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL20587939 0.69 FABP4 (0.53) ALDH1A1HPGDTRPA1MEN1KMT2A
SCHEMBL25054067 0.69 TRPA1 (0.59) KDM4EALDH1A1HPGDTRPA1TRPM8
SCHEMBL890714 0.68 TGM2 (0.58) KDM4EALDH1A1HPGDTRPA1TRPM8
SCHEMBL29367186 0.68 TGM2 (0.58) KDM4EALDH1A1HPGDTRPA1TRPM8
SCHEMBL11686506 0.68 KMT2A (0.50) KDM4EALDH1A1HPGDSMN1; SMN2HTT

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-114999711-A Stain-resistant cable and preparation method thereof 赵琳 2022-09-02 — — CN disclosed
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