SCHEMBL28920305

SCHEMBL28920305

NC(=O)c1cccc(C(=O)NC2CCCCC2)c1C(N)=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.59
▸ NPC1 O15118 4/20 0.59
▸ RAB9A P51151 4/20 0.59
▸ KDM4E B2RXH2 3/20 0.59
▸ LMNA P02545 2/20 0.59
▸ HTT P42858 2/20 0.59
▸ HPGD P15428 2/20 0.59
▸ TP53 P04637 1/20 0.56
▸ MEN1 O00255 2/20 0.55
▸ KMT2A Q03164 2/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.55
▸ NPSR1 Q6W5P4 1/20 0.55
▸ GAA P10253 4/20 0.52
▸ APOBEC3G Q9HC16 1/20 0.52
▸ MAPT P10636 2/20 0.51
▸ PKM P14618 1/20 0.51
▸ CHEK1 O14757 1/20 0.50
▸ SGMS2 Q8NHU3 1/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48

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
SCHEMBL18041117 0.86 ALDH1A1 (0.69) ALDH1A1NPC1RAB9AKDM4ELMNA
SCHEMBL7187483 0.85 ALDH1A1 (0.68) ALDH1A1NPC1RAB9AKDM4ELMNA
SCHEMBL7189493 0.80 ALDH1A1 (0.60) ALDH1A1NPC1RAB9AKDM4ELMNA
SCHEMBL2484363 0.80 TP53 (0.48) ALDH1A1NPC1RAB9AKDM4ELMNA
SCHEMBL9812825 0.79 NPC1 (0.54) ALDH1A1NPC1RAB9AKDM4ELMNA
SCHEMBL30666379 0.78 ALDH1A1 (0.77) ALDH1A1NPC1RAB9AKDM4ELMNA
SCHEMBL7181787 0.77 P2RX7 (0.64) ALDH1A1NPC1RAB9AKDM4ELMNA
SCHEMBL31270723 0.76 KDM4E (0.53) NPC1KDM4EHTTTP53MEN1
SCHEMBL18222674 0.76 KDM4E (0.53) NPC1KDM4EHTTTP53MEN1
SCHEMBL2154833 0.76 ALDH1A1 (0.69) ALDH1A1NPC1RAB9AKDM4ELMNA

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-111040403-B Heat-resistant polylactic acid foaming thermal forming body and preparation method thereof 恒天生物基材料工程技术(宁波)有限公司 2022-05-06 — — CN claimed
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