SCHEMBL3276944

SCHEMBL3276944

Nc1cc2oc3ccccc3nc-2c(=O)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.56
KMT2A Q03164 6/20 0.56
MAPT P10636 6/20 0.56
RAB9A P51151 6/20 0.56
POLB P06746 4/20 0.56
KDM4E B2RXH2 2/20 0.56
ALDH1A1 P00352 2/20 0.56
ALPL P05186 1/20 0.56
ALPI P09923 1/20 0.56
ALPG P10696 1/20 0.56
RECQL P46063 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
ADRA2C P18825 2/20 0.47
MAOA P21397 2/20 0.47
NR1I2 O75469 1/20 0.47
CHRM1 P11229 1/20 0.47
DRD2 P14416 1/20 0.47
ADRA2B P18089 1/20 0.47
CHRM3 P20309 1/20 0.47
HTR2C P28335 1/20 0.47

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
SCHEMBL306543 0.77 MAPT (0.50) MEN1KMT2AMAPTRAB9APOLB
SCHEMBL29631752 0.77 MAPT (0.50) MEN1KMT2AMAPTRAB9APOLB
SCHEMBL2609273 0.76 MEN1 (0.62) MEN1KMT2AMAPTRAB9APOLB
Hydrochloric Acid SCHEMBL10485854 0.76 MAPT (0.49) MEN1KMT2AMAPTRAB9APOLB
SCHEMBL20362084 0.75 MAPT (0.52) MEN1KMT2AMAPTRAB9APOLB
SCHEMBL31011137 0.75 MAOA (0.68) MEN1KMT2AMAPTRAB9APOLB
SCHEMBL31033251 0.75 RAB9A (0.52) MEN1KMT2AMAPTRAB9APOLB
SCHEMBL16431722 0.75 MAOA (0.68) MEN1KMT2AMAPTRAB9APOLB
SCHEMBL1635786 0.73 MAPT (0.54) MEN1KMT2AMAPTRAB9APOLB
SCHEMBL10941393 0.73 MEN1 (0.51) MEN1KMT2AMAPTRAB9APOLB

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-20140080794-A1 Methods and Compositions for the Treatment of Estrogen-Dependent Hyperproliferative Uterine Disorders VIVUS INC (US) 2014-03-20 US disclosed
US-20100087402-A1 Methods and compositions for the treatment of estrogen-dependent hyperproliferative uterine disorders VIVUS, INC. (US) 2010-04-08 US disclosed