SCHEMBL850940

SCHEMBL850940

C#CC(=O)c1ccc(N(c2ccccc2)c2ccc(C(=O)C#C)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
MAPT P10636 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
RAB9A P51151 3/20 0.40
KMT2A Q03164 3/20 0.40
NPC1 O15118 2/20 0.40
MEN1 O00255 2/20 0.40
HPGD P15428 2/20 0.40
CRHBP P24387 1/20 0.40
ATM Q13315 1/20 0.40
CRHR2 Q13324 1/20 0.40
TLR9 Q9NR96 1/20 0.40
HDAC6 Q9UBN7 3/20 0.39

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
SCHEMBL139423 0.81 CES1 (0.50) ALDH1A1KDM4EL3MBTL1MAPTCYP3A4
SCHEMBL9776467 0.78 TSHR (0.40) ALDH1A1MAPTHPGDTSHRCES2
SCHEMBL18305918 0.78 SMN1; SMN2 (0.54) ALDH1A1KDM4EL3MBTL1MAPTCYP1A2
SCHEMBL329666 0.77 RAB9A (0.63) ALDH1A1KDM4EL3MBTL1MAPTCYP1A2
SCHEMBL2596293 0.77 TSHR (0.59) ALDH1A1KDM4EL3MBTL1MAPTCYP1A2
SCHEMBL1246652 0.77 TSHR (0.59) ALDH1A1KDM4EL3MBTL1MAPTCYP1A2
SCHEMBL3755778 0.77 CES2 (0.64) ALDH1A1KDM4EL3MBTL1MAPTCYP1A2
SCHEMBL28972934 0.77 VCP (0.65) ALDH1A1MAPTRAB9AKMT2ANPC1
SCHEMBL28437108 0.76 MAPT (0.59) ALDH1A1KDM4EMAPTCYP3A4TDP1
SCHEMBL1246651 0.75 ALDH1A1 (0.48) ALDH1A1KDM4EL3MBTL1MAPTCYP1A2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143465-B2 Soluble branched triaroylbenzene-based polymer and its synthetic method THE HONG KONG UNIVERSITY OF SCIENCE & TECHNOLOGY (CN) 2012-03-27 US disclosed
US-8143465-B2 Soluble branched triaroylbenzene-based polymer and its synthetic method THE HONG KONG UNIVERSITY OF SCIENCE & TECHNOLOGY (CN) 2012-03-27 US disclosed
US-7772358-B2 Polytriazoles constructed by 1,3-dipolar cycloaddition THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2010-08-10 US disclosed
US-7772358-B2 Polytriazoles constructed by 1,3-dipolar cycloaddition THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2010-08-10 US disclosed
US-7772358-B2 Polytriazoles constructed by 1,3-dipolar cycloaddition THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2010-08-10 US disclosed
US-20080103273-A1 Polytriazoles constructed by 1, 3-dipolar cycloaddition THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2008-05-01 US disclosed
US-20080103273-A1 Polytriazoles constructed by 1, 3-dipolar cycloaddition THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2008-05-01 US disclosed
US-20080103273-A1 Polytriazoles constructed by 1, 3-dipolar cycloaddition THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2008-05-01 US disclosed