SCHEMBL8698485

SCHEMBL8698485

CCNc1c(-c2cc(C)cc(C)c2)[nH]c2ccc([N+](=O)[O-])cc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.46
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 2/20 0.46
GAA P10253 1/20 0.46
MEN1 O00255 2/20 0.44
POLB P06746 2/20 0.44
KMT2A Q03164 2/20 0.44
LMNA P02545 2/20 0.44
PKM P14618 1/20 0.44
NPY1R P25929 1/20 0.44
NPY2R P49146 1/20 0.44
CTSV O60911 1/20 0.43
CTSL P07711 1/20 0.43
PARP1 P09874 1/20 0.43
CCNE1 P24864 1/20 0.43
CDK2 P24941 1/20 0.43
CA12 O43570 1/20 0.42
CA9 Q16790 1/20 0.42
NPC1 O15118 1/20 0.41
THRB P10828 1/20 0.41

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
Hydrochloric Acid SCHEMBL8699214 0.99 MAPT (0.45) MAPTALDH1A1KDM4EGAAMEN1
SCHEMBL8695361 0.80 PTGS2 (0.43) MAPT
SCHEMBL8690368 0.78 GNRHR (0.43)
SCHEMBL6982096 0.76 MAPT (0.46) MAPTALDH1A1KDM4EGAAMEN1
Hydrochloric Acid SCHEMBL8699219 0.75 MAPT (0.45) MAPTALDH1A1KDM4EGAAMEN1
SCHEMBL8595591 0.74 CTSV (0.46) MAPTALDH1A1KDM4EGAAMEN1
SCHEMBL6978088 0.71 POLB (0.53) POLB
SCHEMBL8696015 0.71 ALDH1A1 (0.42) MAPTALDH1A1KDM4EGAAMEN1
SCHEMBL6981037 0.70 MAPT (0.49) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL8698017 0.70 CCNE1 (0.44) MAPTALDH1A1KDM4EGAAMEN1

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