SCHEMBL28831199

SCHEMBL28831199

C=C(c1cccnc1)[Sn](CCCC)(CCCC)CCCC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.49
LMNA P02545 4/20 0.47
HDAC3 O15379 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 0.47
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
TSHR P16473 1/20 0.45
CYP2C19 P33261 1/20 0.45
CYP19A1 P11511 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
MAPT P10636 4/20 0.42
ALDH1A1 P00352 2/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
HPGD P15428 1/20 0.42
NFKB1 P19838 2/20 0.42
NFKB2 Q00653 2/20 0.42
RELA Q04206 2/20 0.42
NPC1 O15118 1/20 0.42

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
SCHEMBL5076575 0.80 PTGS2 (0.43) ALDH1A1KMT2AMEN1
SCHEMBL28831109 0.79 THRA (0.37) LMNACYP1A2TSHRCYP2C19KMT2A
SCHEMBL26773744 0.76 L3MBTL1 (0.53) L3MBTL1LMNAHDAC3HDAC1HDAC2
SCHEMBL25010419 0.73 LMNA (0.55) L3MBTL1LMNAHDAC3HDAC1HDAC2
Hydrochloric Acid SCHEMBL28798531 0.72 LMNA (0.54) L3MBTL1LMNAHDAC3HDAC1HDAC2
SCHEMBL2019942 0.72 L3MBTL1 (0.63) L3MBTL1LMNAHDAC3HDAC1HDAC2
SCHEMBL1661857 0.71 HTR7 (0.49) HDAC3HDAC1HDAC2ALDH1A1HPGD
SCHEMBL28831189 0.71 HDAC3 (0.42) L3MBTL1LMNAHDAC3HDAC1HDAC2
SCHEMBL28831141 0.71 KDM4E (0.31) LMNACYP1A2CYP2C9CYP2C19CYP19A1
SCHEMBL28831250 0.71 LMNA (0.45) LMNACYP1A2CYP2C9TSHRCYP2C19

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-114853804-B Method for synthesizing high-regioselectivity alpha-alkenyl stannane by hydrogenating terminal alkyne stannum marshi 浙江大学 2024-07-05 CN disclosed
CN-114853804-A Method for synthesizing high-regioselectivity alpha-alkenyl stannane by hydrogenation of terminal alkyne martensitic tin 浙江大学 2022-08-05 CN disclosed