SCHEMBL28014135

SCHEMBL28014135

c1ccc2ncc(NCc3ccncc3)cc2c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT1 P17948 5/20 0.65
KDR P35968 5/20 0.65
HDAC6 Q9UBN7 1/20 0.62
ALDH1A1 P00352 4/20 0.59
NPC1 O15118 4/20 0.59
RAB9A P51151 3/20 0.59
KDM4E B2RXH2 3/20 0.59
HPGD P15428 3/20 0.59
HTT P42858 3/20 0.59
LMNA P02545 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
GFER P55789 1/20 0.59
MEN1 O00255 5/20 0.54
KMT2A Q03164 5/20 0.54
GAA P10253 2/20 0.54
MAPT P10636 2/20 0.54
ALOX15 P16050 1/20 0.54
ALOX12 P18054 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
PDGFRB P09619 2/20 0.52

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
SCHEMBL9093698 0.89 HDAC6 (0.67) FLT1KDRHDAC6ALDH1A1NPC1
SCHEMBL5018962 0.83 HDAC6 (0.64) FLT1KDRHDAC6ALDH1A1NPC1
SCHEMBL28048000 0.80 PDGFRB (0.61) HDAC6ALDH1A1NPC1RAB9AKDM4E
SCHEMBL5778943 0.78 KDM4E (0.56) HDAC6ALDH1A1NPC1RAB9AKDM4E
SCHEMBL1703187 0.78 NPC1 (0.60) FLT1KDRALDH1A1NPC1RAB9A
SCHEMBL19616809 0.77 HDAC6 (1.00) FLT1KDRHDAC6ALDH1A1NPC1
SCHEMBL6492289 0.76 INSR (0.53) ALDH1A1NPC1RAB9AKDM4EHPGD
SCHEMBL24522599 0.76 HDAC6 (0.65) FLT1KDRHDAC6ALDH1A1NPC1
SCHEMBL19616555 0.76 HDAC6 (0.72) HDAC6ALDH1A1NPC1RAB9AKDM4E
SCHEMBL12895711 0.76 RAB9A (0.59) KDRHDAC6ALDH1A1NPC1RAB9A

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-108250142-B Amine compounds having anti-inflammatory, antifungal, antiparasitic and anticancer activity 维尔斯达医疗公司 2021-01-26 CN disclosed
CN-104968200-A Amine compounds having anti-inflammatory, antifungal, antiparasitic and anticancer activity WELLSTAT THERAPEUTICS CORP 2015-10-07 CN disclosed