SCHEMBL29910010

SCHEMBL29910010

[N-]=[N+]=NC(=O)C=Cc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.53
▸ HDAC3 O15379 2/20 0.53
▸ HDAC4 P56524 2/20 0.53
▸ HDAC1 Q13547 2/20 0.53
▸ HDAC2 Q92769 2/20 0.53
▸ HDAC8 Q9BY41 2/20 0.53
▸ HDAC6 Q9UBN7 2/20 0.53
▸ PLIN1 O60240 2/20 0.53
▸ LMNA P02545 2/20 0.53
▸ RECQL P46063 2/20 0.53
▸ PLIN5 Q00G26 2/20 0.53
▸ ABHD5 Q8WTS1 2/20 0.53
▸ ALDH1A1 P00352 2/20 0.53
▸ F3 P13726 2/20 0.53
▸ CYP1A2 P05177 2/20 0.53
▸ CYP2D6 P10635 2/20 0.53
▸ TNKS O95271 1/20 0.53
▸ HCAR2 Q8TDS4 1/20 0.53
▸ HDAC7 Q8WUI4 1/20 0.53
▸ HDAC10 Q969S8 1/20 0.53

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
SCHEMBL13948724 1.00 MAPT (0.53) MAPTHDAC3HDAC4HDAC1HDAC2
SCHEMBL27433780 0.82 MAPT (0.50) MAPTHDAC3HDAC4HDAC1HDAC2
SCHEMBL27433779 0.82 MAPT (0.50) MAPTHDAC3HDAC4HDAC1HDAC2
SCHEMBL13460135 0.82 ESR1 (0.46) MAPTLMNARECQLALDH1A1CYP1A2
SCHEMBL14420555 0.82 MAPT (0.51) MAPTLMNAALDH1A1SMN1; SMN2CYP1B1
SCHEMBL14416201 0.82 MAPT (0.51) MAPTLMNAALDH1A1SMN1; SMN2CYP1B1
SCHEMBL13730037 0.82 HSD11B1 (0.56) MAPTLMNAALDH1A1CYP1B1MAOB
SCHEMBL13730038 0.82 HSD11B1 (0.56) MAPTLMNAALDH1A1CYP1B1MAOB
SCHEMBL14924400 0.80 MAOA (0.50) MAPTLMNARECQLALDH1A1SMN1; SMN2
SCHEMBL13768045 0.80 NFE2L2 (0.50) MAPTLMNAALDH1A1SMN1; SMN2CYP1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119278269-A Reduction of nitrogen-containing groups in target compounds using biocatalysts 牛津大学创新有限公司 2025-01-07 — — CN disclosed
CN-112585221-B Curable composition for forming light scattering layer 3M创新有限公司 2022-10-25 — — CN disclosed
CN-115038727-A Curable composition for forming light scattering layer 3M创新有限公司 2022-09-09 — — CN disclosed
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