SCHEMBL8188692

SCHEMBL8188692

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

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
POLB P06746 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL8190726 0.92 KDM4E (0.35) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL8193194 0.89 KDM4E (0.36) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL8186151 0.89 KDM4E (0.34) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL8190382 0.87 KDM4E (0.33) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL8193227 0.87 KDM4E (0.33) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL8177275 0.87 KDM4E (0.35) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL8177284 0.87 KDM4E (0.36) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL8184439 0.86 KDM4E (0.33) KDM4EALDH1A1POLBL3MBTL1
SCHEMBL8190638 0.86 MEN1 (0.36) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL8184446 0.86 KDM4E (0.36) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A

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
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