SCHEMBL8696015

SCHEMBL8696015

CCN(C(=O)OC(C)(C)C)c1c(-c2cc(C)cc(C)c2)[nH]c2ccc([N+](=O)[O-])cc12

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
POLB P06746 1/20 0.42
PKM P14618 1/20 0.42
NPY1R P25929 1/20 0.42
NPY2R P49146 1/20 0.42
MAPT P10636 4/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
CCNE1 P24864 1/20 0.39
CDK2 P24941 1/20 0.39
LMNA P02545 1/20 0.37
DRD2 P14416 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36

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
SCHEMBL8697700 0.82 CXCR2 (0.41) MEN1KMT2A
SCHEMBL8698939 0.79 GNRHR (0.38)
SCHEMBL8700278 0.77 DAPK3 (0.44) ALDH1A1POLBKDM4E
SCHEMBL6978805 0.76 HDAC1 (0.45) ALDH1A1MEN1KMT2ALMNADRD2
SCHEMBL8668503 0.76 MAPT (0.43) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL8696137 0.74 MEN1 (0.38) ALDH1A1MEN1KMT2APOLBMAPT
SCHEMBL8698485 0.71 MAPT (0.46) ALDH1A1MEN1KMT2APOLBPKM
SCHEMBL6081269 0.70 ALDH1A1 (0.57) ALDH1A1MEN1KMT2APOLBMAPT
Hydrochloric Acid SCHEMBL8699214 0.70 MAPT (0.45) ALDH1A1MEN1KMT2APOLBPKM
SCHEMBL8698017 0.69 CCNE1 (0.44) ALDH1A1MEN1KMT2APOLBPKM

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-5780437-A ADMINISTERING TO TREAT SEX-HORMONE RELATED DISORDERS MERCK & CO., INC. (US) 1998-07-14 US disclosed