SCHEMBL8187641

SCHEMBL8187641

CCC(C)N1CCc2c(COc3ccccc3)nc3c([N+](=O)[O-])cnn3c21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.35
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 2/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
LMNA P02545 2/20 0.32
TXNRD1 Q16881 1/20 0.32
MEN1 O00255 2/20 0.31
CYP3A4 P08684 2/20 0.31
CYP2C9 P11712 2/20 0.31
KMT2A Q03164 2/20 0.31
POLB P06746 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MMP2 P08253 1/20 0.31
MMP9 P14780 1/20 0.31
MAPT P10636 2/20 0.31
CYP1A2 P05177 1/20 0.31
HPGD P15428 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL8189448 0.89 KDM4E (0.33) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL8192800 0.87 ALDH1A1 (0.36) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL8186190 0.87 KDM4E (0.38) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL8185648 0.83 KDM4E (0.37) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL8191815 0.83 KDM4E (0.33) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL8177278 0.82 KDM4E (0.32) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL8188147 0.82 KDM4E (0.36) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL8185453 0.81 NPC1 (0.32) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL8185997 0.80 KDM4E (0.45) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL8187108 0.80 HTT (0.33) ALDH1A1KDM4ENPC1RAB9ASMN1; 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