SCHEMBL28268337

SCHEMBL28268337

CCCCC(Br)c1ccccc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.36
ALDH1A1 P00352 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
LMNA P02545 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CYP3A4 P08684 3/20 0.36
MAPT P10636 1/20 0.36
CYP2C9 P11712 1/20 0.36
IDO1 P14902 1/20 0.36
TDO2 P48775 1/20 0.36
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CA2 P00918 1/20 0.34
MC4R P32245 4/20 0.34
GRM2 Q14416 1/20 0.34
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33

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
SCHEMBL16177608 0.86 ALDH1A1 (0.39) ALDH1A1LMNACYP3A4CA2
SCHEMBL28266622 0.81 IDO1 (0.36) ALDH1A1MEN1KMT2ACYP3A4MAPT
SCHEMBL11994152 0.81 CYP19A1 (0.43) L3MBTL1ALDH1A1MEN1KMT2ALMNA
SCHEMBL16177434 0.80 PRSS1 (0.39) ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL6258732 0.80 MC4R (0.41) L3MBTL1ALDH1A1MEN1KMT2ACYP3A4
SCHEMBL9229150 0.79 TSHR (0.38) L3MBTL1ALDH1A1MEN1KMT2ALMNA
SCHEMBL6630352 0.79 ALDH1A1 (0.42) L3MBTL1ALDH1A1MEN1KMT2ALMNA
SCHEMBL9286802 0.79 TSHR (0.38) L3MBTL1ALDH1A1MEN1KMT2ALMNA
SCHEMBL18006937 0.79 SMN1; SMN2 (0.34) L3MBTL1ALDH1A1MEN1KMT2ACYP3A4
SCHEMBL18007003 0.79 MC4R (0.37) ALDH1A1CYP3A4IDO1TDO2MC4R

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
CN-109311907-A Preparation method of high-purity prasugrel 吉瑞工厂 2019-02-05 CN disclosed