SCHEMBL28836735

SCHEMBL28836735

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
ALDH1A1 P00352 5/20 0.42
TSHR P16473 3/20 0.42
CYP4F2 P78329 2/20 0.38
CYP4A11 Q02928 2/20 0.38
PIN1 Q13526 1/20 0.36
LMNA P02545 2/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TRPA1 O75762 1/20 0.35
PKM P14618 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HSD17B10 Q99714 1/20 0.34
THRB P10828 1/20 0.34
ABCB11 O95342 1/20 0.34
CYP3A4 P08684 1/20 0.34

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
SCHEMBL28385160 0.85 MEN1 (0.49) MEN1KMT2AALDH1A1TSHRCYP4F2
SCHEMBL28836686 0.78 MEN1 (0.48) MEN1KMT2AALDH1A1TSHRCYP4F2
SCHEMBL29277135 0.77 ALDH1A1 (0.54) MEN1KMT2AALDH1A1TSHRPIN1
SCHEMBL27573610 0.75 MEN1 (0.50) MEN1KMT2AALDH1A1TSHRCYP4F2
SCHEMBL1963 0.75 ALDH1A1 (0.50) MEN1KMT2AALDH1A1TSHRCYP4F2
SCHEMBL11338526 0.74
SCHEMBL3248205 0.73 MEN1 (0.48) MEN1KMT2AALDH1A1TSHRCYP4F2
SCHEMBL535883 0.72 MEN1 (0.52) MEN1KMT2AALDH1A1TSHRCYP4F2
Ethane SCHEMBL20528159 0.72 MEN1 (0.52) MEN1KMT2AALDH1A1TSHRCYP4F2
SCHEMBL28164782 0.72 MEN1 (0.52) MEN1KMT2AALDH1A1TSHRCYP4F2

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