SCHEMBL8189448

SCHEMBL8189448

CCC(C)N1CCc2c(COCc3ccccc3)nc3c([N+](=O)[O-])cnn3c21

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.33
KMT2A Q03164 1/20 0.33
PIN1 Q13526 2/20 0.32
ALDH1A1 P00352 3/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
POLB P06746 1/20 0.31
GAA P10253 1/20 0.31
MAPK1 P28482 1/20 0.30
SLC12A2 P55011 1/20 0.30
SLC12A5 Q9H2X9 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
SCHEMBL8192800 0.90 ALDH1A1 (0.36) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL8186190 0.86 KDM4E (0.38) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL6625308 0.84 KDM4E (0.48) KDM4EKMT2AALDH1A1NPC1RAB9A
SCHEMBL8185648 0.82 KDM4E (0.37) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL8191815 0.82 KDM4E (0.33) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL8177278 0.81 KDM4E (0.32) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL8185997 0.79 KDM4E (0.45) KDM4EKMT2AALDH1A1NPC1RAB9A
SCHEMBL8187108 0.79 HTT (0.33) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL8177257 0.79 ALDH1A1 (0.34) KDM4EKMT2AALDH1A1NPC1RAB9A
SCHEMBL8176037 0.79 ALDH1A1 (0.31) KDM4EALDH1A1NPC1RAB9ASMN1; 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 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