SCHEMBL28176247

SCHEMBL28176247

NC(=S)c1ccccc1-c1ccccc1Br

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.42
ALDH1A1 P00352 3/20 0.41
MAPK1 P28482 2/20 0.41
GRM2 Q14416 1/20 0.38
KMT2A Q03164 3/20 0.38
CTSL P07711 1/20 0.36
BCAT2 O15382 1/20 0.35
GAA P10253 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
MPI P34949 1/20 0.35
DCUN1D1 Q96GG9 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HSD17B10 Q99714 1/20 0.35
POLB P06746 2/20 0.35
MEN1 O00255 2/20 0.35
TACR1 P25103 1/20 0.35
RAB9A P51151 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
SCHEMBL13964794 0.87 BCAT2 (0.43) L3MBTL1ALDH1A1KMT2ABCAT2GAA
SCHEMBL2554580 0.82 L3MBTL1 (0.48) L3MBTL1ALDH1A1KMT2ACTSLGAA
SCHEMBL29941064 0.79 BCAT2 (0.59) ALDH1A1MAPK1GRM2KMT2ABCAT2
SCHEMBL7863179 0.79 ALDH1A1 (0.41) L3MBTL1ALDH1A1MAPK1GRM2KMT2A
SCHEMBL1898665 0.79 BCAT2 (0.59) ALDH1A1MAPK1GRM2KMT2ABCAT2
SCHEMBL28587285 0.78 GRM2 (0.43) L3MBTL1GRM2KMT2ABCAT2MAPT
SCHEMBL28972265 0.78 ALDH1A1 (0.40) L3MBTL1ALDH1A1MAPK1GRM2KMT2A
SCHEMBL5048950 0.75 PKM (0.47) ALDH1A1KDM4EMAPTHPGDPOLB
SCHEMBL709834 0.74 BCAT2 (0.63) ALDH1A1KMT2ABCAT2GAAHPGD
SCHEMBL28368379 0.74 KMT2A (0.47) ALDH1A1MAPK1GRM2KMT2AGAA

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-107245444-A A kind of thorugh biologic engineering method cultivates the equipment and its breeding method of medical strain 徐州工程学院 2017-10-13 CN claimed
CN-107245444-A A kind of thorugh biologic engineering method cultivates the equipment and its breeding method of medical strain 徐州工程学院 2017-10-13 CN disclosed