SCHEMBL31672540

SCHEMBL31672540

CCN(CC)CCNC(=O)c1ccc[nH]1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.55
▸ KDM4E B2RXH2 2/20 0.55
▸ HPGD P15428 1/20 0.55
▸ LMNA P02545 3/20 0.54
▸ SLC22A2 O15244 1/20 0.54
▸ SLC22A1 O15245 1/20 0.54
▸ TSHR P16473 1/20 0.54
▸ ACHE P22303 1/20 0.54
▸ MAPK1 P28482 1/20 0.54
▸ CYP2C19 P33261 1/20 0.54
▸ BLM P54132 2/20 0.52
▸ PMP22 Q01453 1/20 0.52
▸ TDP1 Q9NUW8 1/20 0.51
▸ NFKB1 P19838 1/20 0.50
▸ KCNH2 Q12809 1/20 0.50
▸ HDAC3 O15379 1/20 0.50
▸ HDAC4 P56524 1/20 0.50
▸ HDAC1 Q13547 1/20 0.50
▸ HDAC7 Q8WUI4 1/20 0.50
▸ HDAC2 Q92769 1/20 0.50

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
SCHEMBL31672496 0.91 HDAC3 (0.55) ALDH1A1KDM4ELMNAHDAC3HDAC4
SCHEMBL4658952 0.82 KDM4E (0.59) KDM4ELMNAHDAC3HDAC4HDAC1
SCHEMBL2781925 0.80 KDM4E (0.61) KDM4ELMNABLMHDAC3HDAC4
SCHEMBL10244791 0.79 HDAC3 (0.61) KDM4EHPGDLMNATSHRHDAC3
SCHEMBL4591341 0.76 HDAC3 (0.58) KDM4ELMNAHDAC3HDAC4HDAC1
SCHEMBL4591337 0.76 HDAC3 (0.58) KDM4ELMNAHDAC3HDAC4HDAC1
SCHEMBL29038556 0.76 HDAC3 (0.67) KDM4ELMNATSHRHDAC3HDAC4
SCHEMBL29038565 0.76 HDAC3 (0.67) KDM4ELMNATSHRHDAC3HDAC4
SCHEMBL542239 0.76 TDP1 (0.74) ALDH1A1KDM4EHPGDLMNASLC22A2
SCHEMBL13042362 0.76 HDAC3 (0.57) KDM4ELMNATSHRHDAC3HDAC4

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
EP-4599890-A2 SUNITINIB FOR PREVENTING AND/OR TREATING AMYOTROPHIC LATERAL SCLEROSIS Kyoto University (JP) 2025-08-13 — — EP disclosed
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