SCHEMBL9302744

SCHEMBL9302744

CCOC(=O)Cc1c(C)n2c3c(cc([N+](=O)[O-])cc13)CCC2

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
MAPK1 P28482 2/20 0.52
NPC1 O15118 1/20 0.37
MAPT P10636 6/20 0.36
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
GAA P10253 2/20 0.35
KCNJ1 P48048 1/20 0.35
KCNH2 Q12809 1/20 0.35
HTT P42858 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
RAB9A P51151 1/20 0.34
ALOX5 P09917 1/20 0.34

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
SCHEMBL8557902 0.87 KMT2A (0.45) MEN1KMT2AMAPK1MAPTSMN1; SMN2
SCHEMBL9303580 0.83 MAPK1 (0.56) MEN1KMT2AMAPK1NPC1MAPT
SCHEMBL27377759 0.82 KMT2A (0.43) MEN1KMT2AMAPK1MAPTLMNA
SCHEMBL9302647 0.82 MAPK1 (0.55) MEN1KMT2AMAPK1MAPTLMNA
SCHEMBL8558110 0.79 HTR2A (0.44) MEN1KMT2AMAPK1MAPTHTR2A
SCHEMBL9304089 0.79 MEN1 (0.52) MEN1KMT2AMAPK1LMNAHTR2A
SCHEMBL9303846 0.78 KMT2A (0.51) MEN1KMT2AMAPK1LMNASMN1; SMN2
SCHEMBL9305955 0.78 HTR2A (0.59) MEN1KMT2AMAPK1LMNAHTR2A
SCHEMBL9304934 0.75 HTR2A (0.55) MEN1KMT2AMAPK1MAPTLMNA
SCHEMBL8554000 0.74 ALOX5 (0.55) MEN1KMT2AMAPK1MAPTLMNA

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-5324725-A Antiinflammatory agent, antiallergen KALI-CHEMIE PHARMA GMBH (DE) 1994-06-28 US disclosed