SCHEMBL28899392

SCHEMBL28899392

O=CCCCOc1ncccn1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TSHR P16473 2/20 0.32

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
SCHEMBL29566876 0.78 ALDH1A1 (0.41) KDM4EALDH1A1TSHR
SCHEMBL5728923 0.76 HTR1A (0.39) HIF1AKDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL15547011 0.72 HDAC8 (0.35) KDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL4087934 0.71 NAAA (0.40) HIF1ATSHR
SCHEMBL28820693 0.71 KDM4E (0.40) KDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL28048864 0.71 CYP2D6 (0.47) KDM4EALDH1A1LMNASMN1; SMN2TSHR
SCHEMBL28271433 0.70 PDE5A (0.37) ALDH1A1
SCHEMBL4268840 0.70 CYP2D6 (0.48) SMN1; SMN2
SCHEMBL96854 0.70 KCNA3 (0.62) ALDH1A1
SCHEMBL5883528 0.70 NAAA (0.43) HIF1ATSHR

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-111655340-A Methods and pharmaceutical compositions for modulating autophagy 国家医疗保健研究所 2020-09-11 CN disclosed