SCHEMBL8698017

SCHEMBL8698017

CCc1cccc(C(N)=O)c1-c1c(-c2cc(C)cc(C)c2)[nH]c2ccc([N+](=O)[O-])cc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 6/20 0.44
CDK2 P24941 6/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
MAPT P10636 3/20 0.43
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42
FLT3 P36888 2/20 0.42
CDK5 Q00535 1/20 0.42
CDK5R1 Q15078 1/20 0.42
POLB P06746 2/20 0.41
PKM P14618 1/20 0.41
NPY1R P25929 1/20 0.41
NPY2R P49146 1/20 0.41
CCNT1 O60563 1/20 0.39
CDK9 P50750 1/20 0.39
IKBKB O14920 1/20 0.39
AURKA O14965 1/20 0.39
NTRK1 P04629 1/20 0.39

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
SCHEMBL8698026 0.87 CCNE1 (0.43) CCNE1CDK2MEN1KMT2AMAPT
SCHEMBL6984805 0.81 ALDH1A1 (0.42) CCNE1CDK2MEN1KMT2AMAPT
SCHEMBL8698485 0.70 MAPT (0.46) CCNE1CDK2MEN1KMT2AMAPT
SCHEMBL6982096 0.70 MAPT (0.46) CCNE1CDK2MEN1KMT2AMAPT
Hydrochloric Acid SCHEMBL8699214 0.69 MAPT (0.45) CCNE1CDK2MEN1KMT2AMAPT
Hydrochloric Acid SCHEMBL8699219 0.69 MAPT (0.45) CCNE1CDK2MEN1KMT2AMAPT
SCHEMBL8696015 0.69 ALDH1A1 (0.42) CCNE1CDK2MEN1KMT2AMAPT
SCHEMBL6805625 0.68 PARP1 (0.64) PARP1
SCHEMBL8595591 0.68 CTSV (0.46) CCNE1CDK2MEN1KMT2AMAPT
SCHEMBL6805633 0.67 PARP1 (0.44) CCNE1CDK2MEN1KMT2AMAPT

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