SCHEMBL28030899

SCHEMBL28030899

CN(F)C(=O)c1ccc(N)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PHLPP2 Q6ZVD8 1/20 0.44
LMNA P02545 5/20 0.42
CYP3A4 P08684 3/20 0.42
MAPT P10636 3/20 0.42
MAOA P21397 2/20 0.42
CYP1A2 P05177 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
ALDH1A1 P00352 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
PKM P14618 1/20 0.41
APEX1 P27695 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP19A1 P11511 1/20 0.40
PARP10 Q53GL7 1/20 0.39
MAPK1 P28482 3/20 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
SCHEMBL354426 0.82 ALDH1A1 (0.59) PHLPP2LMNACYP3A4MAPTMAOA
SCHEMBL1441175 0.80 ALDH1A1 (0.52) LMNANPC1RAB9AALDH1A1TDP1
SCHEMBL11790964 0.78 PHLPP2 (0.44) PHLPP2LMNACYP3A4MAPTMAOA
SCHEMBL2351713 0.77 HSD11B1 (0.52) MAPTNPC1RAB9AALDH1A1HPGD
SCHEMBL8581201 0.77 KMT2A (0.50) PHLPP2LMNACYP3A4MAPTMAOA
SCHEMBL6492139 0.77 ALDH1A1 (0.53) PHLPP2LMNACYP3A4MAPTCYP1A2
SCHEMBL2127770 0.77 KMT2A (0.50) PHLPP2LMNACYP3A4MAPTMAOA
Hydrochloric Acid SCHEMBL5778895 0.76 LOXL2 (0.50) MAPTSMN1; SMN2MEN1KMT2AHRH3
Hydrochloric Acid SCHEMBL27873129 0.76 HSD11B1 (0.50) MAPTNPC1RAB9AALDH1A1HPGD
SCHEMBL6981969 0.75 RAB9A (0.60) LMNAMAPTNPC1RAB9AALDH1A1

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
CN-104844521-B The synthetic method of the miscellaneous Shandong amine of antiprostate cancer grace 成都伊诺达博医药科技有限公司 2017-08-15 CN disclosed
CN-104844521-A Novel method for compounding medicament of Enzalutamide for resisting prostate cancer CHENGDU D INNOVATION PHARMACEUTICAL CO LTD 2015-08-19 CN disclosed