SCHEMBL8188152

SCHEMBL8188152

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

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.33
POLB P06746 1/20 0.33
KDM4E B2RXH2 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
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
SCHEMBL8187531 0.91 KDM4E (0.34) ALDH1A1L3MBTL1POLBKDM4ESMN1; SMN2
SCHEMBL8185115 0.89 KDM4E (0.39) ALDH1A1L3MBTL1POLBKDM4ESMN1; SMN2
SCHEMBL8185635 0.84 POLB (0.41) ALDH1A1L3MBTL1POLBKDM4ESMN1; SMN2
SCHEMBL8177617 0.81 ALDH1A1 (0.48) ALDH1A1L3MBTL1POLBKDM4ESMN1; SMN2
SCHEMBL6628015 0.79 KDM4E (0.49) ALDH1A1POLBKDM4ESMN1; SMN2NPC1
SCHEMBL8185997 0.79 KDM4E (0.45) ALDH1A1L3MBTL1POLBKDM4ESMN1; SMN2
SCHEMBL8191815 0.79 KDM4E (0.33) ALDH1A1L3MBTL1POLBKDM4ESMN1; SMN2
SCHEMBL8191383 0.78 HTR2A (0.34) ALDH1A1L3MBTL1POLBKDM4ESMN1; SMN2
SCHEMBL8186151 0.78 KDM4E (0.34) ALDH1A1L3MBTL1POLBKDM4ESMN1; SMN2
SCHEMBL8186064 0.77 ALDH1A1 (0.36) ALDH1A1L3MBTL1POLBKDM4ESMN1; SMN2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1021447-A1 PYRROLOPYRAZOLOPYRIMIDINE COMPOUND AND MEDICINE COMPRISING THE SAME POLA CHEMICAL INDUSTRIES, INC. (JP) 2000-07-26 EP disclosed
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
US-5942515-A RESPIRATORY SYSTEM DISORDERS POLA CHEMICAL INDUSTRIES, INC. (JP) 1999-08-24 US disclosed
WO-1998033799-A1 PYRROLOPYRAZOLOPYRIMIDINE COMPOUND AND MEDICINE COMPRISING THE SAME POLA CHEMICAL INDUSTRIES, INC. (JP) 1998-08-06 WO disclosed