SCHEMBL29258250

SCHEMBL29258250

NC(=O)/C=C/c1ccncc1.O=C(NCc1cc(Br)ccc1Br)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.53
▸ TTR P02766 1/20 0.48
▸ AKR1C3 P42330 2/20 0.44
▸ SENP1 Q9P0U3 2/20 0.41
▸ HDAC1 Q13547 3/20 0.41
▸ HDAC6 Q9UBN7 2/20 0.41
▸ HDAC3 O15379 1/20 0.41
▸ HDAC4 P56524 1/20 0.41
▸ HDAC7 Q8WUI4 1/20 0.41
▸ HDAC2 Q92769 1/20 0.41
▸ HDAC10 Q969S8 1/20 0.41
▸ HDAC11 Q96DB2 1/20 0.41
▸ HDAC8 Q9BY41 1/20 0.41
▸ HDAC9 Q9UKV0 1/20 0.41
▸ HDAC5 Q9UQL6 1/20 0.41
▸ MMP13 P45452 2/20 0.40
▸ ROCK2 O75116 1/20 0.40
▸ RPS6KA5 O75582 1/20 0.40
▸ MAP4K4 O95819 1/20 0.40
▸ PRKCG P05129 1/20 0.40

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
SCHEMBL29258184 0.92 KMT2A (0.53) KMT2ATTRAKR1C3SENP1HDAC1
SCHEMBL29258188 0.89 KMT2A (0.67) KMT2ATTRAKR1C3HDAC1HDAC6
SCHEMBL29258637 0.85 AKR1C3 (0.54) AKR1C3SENP1HDAC1HDAC6HDAC3
SCHEMBL29258510 0.84 SENP1 (0.55) AKR1C3SENP1HDAC1HDAC6HDAC3
SCHEMBL29258129 0.84 AKR1C3 (0.49) KMT2AAKR1C3SENP1HDAC1HDAC6
SCHEMBL29258810 0.84 AKR1C3 (0.53) KMT2ATTRAKR1C3SENP1HDAC1
SCHEMBL29258390 0.83 KMT2A (0.51) KMT2ATTRAKR1C3SENP1HDAC1
SCHEMBL29258211 0.81 SMN1; SMN2 (0.54) KMT2AROCK2MAPK1SMN1; SMN2LMNA
SCHEMBL29258159 0.81 HPGD (0.62) KMT2AMMP13ROCK2RPS6KA5MAP4K4
SCHEMBL29258199 0.81 NAMPT (0.53) KMT2AHDAC1HDAC3HDAC2ROCK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118108664-A NAMPT agonist and preparation method and application thereof 中国人民解放军海军军医大学 2024-05-31 — — CN claimed
CN-118108664-A NAMPT agonist and preparation method and application thereof 中国人民解放军海军军医大学 2024-05-31 — — CN disclosed
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