SCHEMBL28857151

SCHEMBL28857151

CC1=Nc2cccc(-c3ccccc3)c2C1(C)C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.51
MEN1 O00255 3/20 0.51
PDCD1 Q15116 2/20 0.37
CD274 Q9NZQ7 2/20 0.37
IDO1 P14902 1/20 0.37
ALDH1A1 P00352 4/20 0.36
HSD17B10 Q99714 2/20 0.36
TSHR P16473 2/20 0.35
HPGD P15428 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
AKT1 P31749 1/20 0.34
AKT2 P31751 1/20 0.34
MAPT P10636 3/20 0.34
LMNA P02545 2/20 0.34
GAA P10253 2/20 0.34
PSMB5 P28074 1/20 0.33
ENPP3 O14638 1/20 0.33
ENPP1 P22413 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
SCHEMBL38661679 0.82 MEN1 (0.42) KMT2AMEN1SMN1; SMN2MAPTGAA
SCHEMBL38664096 0.82 MEN1 (0.42) KMT2AMEN1
SCHEMBL38662265 0.82 MEN1 (0.45) KMT2AMEN1TSHRNPC1RAB9A
SCHEMBL38662912 0.82 MEN1 (0.42) KMT2AMEN1ALDH1A1HSD17B10TSHR
SCHEMBL38663339 0.80 KMT2A (0.44) KMT2AMEN1ALDH1A1HPGDNPC1
SCHEMBL31461336 0.75 MEN1 (0.55) KMT2AMEN1ALDH1A1TSHRMAPT
SCHEMBL1049879 0.75 MEN1 (0.55) KMT2AMEN1ALDH1A1TSHRMAPT
SCHEMBL28943807 0.74 PDCD1 (0.36) KMT2AMEN1PDCD1CD274ALDH1A1
SCHEMBL2057766 0.72 MEN1 (0.51) KMT2AMEN1ALDH1A1MAPTGAA
SCHEMBL5273065 0.72 MEN1 (0.51) KMT2AMEN1ALDH1A1TSHRMAPT

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-107835809-A Polymethine compound with long Stokes shift and its purposes as fluorescent marker 伊卢米纳剑桥有限公司 2018-03-23 CN disclosed