SCHEMBL28836686

SCHEMBL28836686

CCOC(=O)C(C)(Br)C#N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
ALDH1A1 P00352 4/20 0.44
TSHR P16473 2/20 0.44
CYP4F2 P78329 3/20 0.39
CYP4A11 Q02928 3/20 0.39
ABCB11 O95342 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
HTR2A P28223 1/20 0.39
PMP22 Q01453 1/20 0.39
PPARA Q07869 1/20 0.39
PKM P14618 3/20 0.37
MMP8 P22894 2/20 0.37
PIN1 Q13526 1/20 0.37
CNR2 P34972 2/20 0.37
TRPA1 O75762 1/20 0.37
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
HSD17B10 Q99714 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
SCHEMBL535883 0.78 MEN1 (0.52) MEN1KMT2AALDH1A1TSHRCYP4F2
SCHEMBL7565591 0.78 MEN1 (0.52) MEN1KMT2AALDH1A1TSHRCYP4F2
SCHEMBL28164782 0.78 MEN1 (0.52) MEN1KMT2AALDH1A1TSHRCYP4F2
SCHEMBL28836735 0.78 MEN1 (0.47) MEN1KMT2AALDH1A1TSHRCYP4F2
SCHEMBL28242892 0.75 MEN1 (0.53) MEN1KMT2AALDH1A1TSHRCYP4F2
SCHEMBL15858335 0.75 MEN1 (0.53) MEN1KMT2AALDH1A1TSHRCYP4F2
SCHEMBL28242894 0.75 MEN1 (0.53) MEN1KMT2AALDH1A1TSHRCYP4F2
SCHEMBL3248205 0.75 MEN1 (0.48) MEN1KMT2AALDH1A1TSHRCYP4F2
SCHEMBL653853 0.75 ALDH1A1 (0.46) MEN1KMT2AALDH1A1TSHRCYP4F2
SCHEMBL36821 0.75

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-114874141-B Synthesis method for constructing phenanthridine compounds by ring-opening cyclization of alkenyl benzotriazole under catalysis of visible light 河南大学 2024-03-29 CN disclosed
CN-114874141-A Synthesis method for constructing phenanthridine compound through ring-opening cyclization of alkenyl benzotriazole under catalysis of visible light 河南大学 2022-08-09 CN disclosed