SCHEMBL11516740

SCHEMBL11516740

Cc1ccc([N+](=O)[O-])c(C)c1OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
MAPT P10636 3/20 0.47
PTPN1 P18031 1/20 0.47
HTR1A P08908 1/20 0.46
ADRA1D P25100 1/20 0.46
ADRA1A P35348 1/20 0.46
ADRA1B P35368 1/20 0.46
PIN1 Q13526 2/20 0.46
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
ATM Q13315 1/20 0.44
TSHR P16473 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HTR1D P28221 1/20 0.43
HTR1B P28222 1/20 0.43
TDP1 Q9NUW8 2/20 0.43
MAPK1 P28482 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL15871971 0.84 HTR1A (0.53) MEN1KMT2AMAPTHTR1AADRA1D
SCHEMBL15123629 0.83 MAPT (0.46) MEN1KMT2AMAPTPTPN1HTR1A
SCHEMBL14228268 0.82 MGMT (0.48) MEN1KMT2AMAPTPTPN1PIN1
SCHEMBL7793968 0.79 MEN1 (0.47) MEN1KMT2AMAPTPTPN1HTR1A
SCHEMBL9007594 0.78 MGMT (0.50) MEN1KMT2AMAPTPTPN1PIN1
SCHEMBL527106 0.78 CTSV (0.52) MEN1KMT2AMAPTPTPN1HTR1A
SCHEMBL8031159 0.78 PIN1 (0.48) MEN1KMT2AMAPTPTPN1HTR1A
SCHEMBL27388637 0.78 HTR1A (0.55) MEN1KMT2AHTR1AADRA1DADRA1A
SCHEMBL6058052 0.78 MAPT (0.42) MEN1KMT2AMAPTPTPN1HTR1A
SCHEMBL7390982 0.78 KMT2A (0.44) MEN1KMT2ANPC1RAB9ATSHR

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-4171446-A Indazole compounds BOEHRINGER MANNHEIM GMBH (DE) 1979-10-16 US disclosed