SCHEMBL14933773

SCHEMBL14933773

C[C@](O)(COc1ccc(C#N)cc1)C(N)=O

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AR P10275 4/20 0.54
ALDH1A1 P00352 1/20 0.49
MAPT P10636 1/20 0.49
PARP15 Q460N3 1/20 0.47
PARP10 Q53GL7 1/20 0.47
PARP2 Q9UGN5 1/20 0.47
MMP2 P08253 3/20 0.46
RAB9A P51151 1/20 0.43
MMP3 P08254 1/20 0.43
GAA P10253 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL4279128 1.00 AR (0.54) ARALDH1A1MAPTPARP15PARP10
SCHEMBL14263051 0.86 AR (0.54) ARALDH1A1MAPTMMP2RAB9A
SCHEMBL12378041 0.86 AR (0.54) ARALDH1A1MAPTMMP2RAB9A
SCHEMBL13574311 0.86 AR (0.54) ARALDH1A1MAPTMMP2RAB9A
SCHEMBL13520469 0.86 AR (0.54) ARALDH1A1MAPTMMP2RAB9A
SCHEMBL18677371 0.84 AR (0.53) ARALDH1A1MAPTMMP2RAB9A
SCHEMBL18677477 0.84 AR (0.53) ARALDH1A1MAPTMMP2RAB9A
SCHEMBL17643998 0.84 AR (0.53) ARALDH1A1MAPTMMP2RAB9A
SCHEMBL13523302 0.83 AR (0.52) ARALDH1A1MAPTMMP2RAB9A
SCHEMBL10062799 0.83 AR (0.55) ARALDH1A1MAPTMMP2RAB9A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3147278-A1 COMPOUND FOR TREATING BREAST CANCER AND PROGESTIN-DEPENDENT CONDITIONS University of Tennessee Research Foundation (US) 2017-03-29 EP disclosed
EP-2038252-B1 SUBSTITUTED ACYLANILIDES AND METHODS OF USE THEREOF UNIV TENNESSEE RES FOUNDATION (US) 2016-11-02 EP disclosed
WO-2016061534-A1 METHODS OF TREATING UROLOGICAL DISORDERS USING SARMs GTX, INC. (US) 2016-04-21 WO disclosed
WO-2014011220-A2 A METHOD OF TREATING ANDROGEN RECEPTOR (AR)-POSITIVE BREAST CANCERS WITH SELECTIVE ANDROGEN RECEPTOR MODULATOR (SARMS) GTX, INC. (US) 2014-01-16 WO disclosed
WO-2013067170-A1 PHARMACEUTICAL COMPOSITIONS OF SELECTIVE ANDROGEN RECEPTOR MODULATORS AND METHODS OF USE THEREOF GTX, INC. (US) 2013-05-10 WO disclosed