SCHEMBL8185997

SCHEMBL8185997

CCC(C)N1CCc2c(C)nc3c([N+](=O)[O-])cnn3c21

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 2/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 1/20 0.44
HTT P42858 1/20 0.38
MAPT P10636 2/20 0.37
KMT2A Q03164 3/20 0.37
GAA P10253 1/20 0.35
POLB P06746 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
HTR2B P41595 1/20 0.30

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
SCHEMBL8191383 0.88 HTR2A (0.34) KDM4ESMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL8187531 0.88 KDM4E (0.34) KDM4ESMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL8185648 0.86 KDM4E (0.37) KDM4ESMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL8191815 0.86 KDM4E (0.33) KDM4ESMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL8190726 0.86 KDM4E (0.35) KDM4ESMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL8185193 0.86 KDM4E (0.33) KDM4ESMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL8190629 0.85 POLB (0.39) KDM4ESMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL8186151 0.85 KDM4E (0.34) KDM4ESMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL8176836 0.85 KDM4E (0.32) KDM4ESMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL8186138 0.85 ALDH1A1 (0.37) KDM4ESMN1; SMN2ALDH1A1NPC1RAB9A

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
US-6057330-A USEFUL FOR THE PREVENTION AND TREATMENT OF A RESPIRATORY DISEASES REPRESENTED BY ASTHMA POLA CHEMICAL INDUSTRIES, INC. (JP) 2000-05-02 US disclosed