SCHEMBL415673

SCHEMBL415673

CC(C)(C)CC(C)(C)c1ccc(N(c2ccc(N(c3ccc(Br)cc3)c3ccc(Br)cc3)cc2)c2ccc(C(C)(C)CC(C)(C)C)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SHBG P04278 1/20 0.50
CYP3A4 P08684 5/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
HIF1A Q16665 3/20 0.33
CYP2D6 P10635 2/20 0.33
MEN1 O00255 4/20 0.33
USP2 O75604 4/20 0.33
MAPT P10636 4/20 0.33
KMT2A Q03164 4/20 0.33
ALDH1A1 P00352 3/20 0.33
TDP1 Q9NUW8 3/20 0.33
TP53 P04637 3/20 0.33
SLC6A2 P23975 3/20 0.33
SLC6A4 P31645 3/20 0.33
SLC6A3 Q01959 3/20 0.33
KCNH2 Q12809 3/20 0.33
APAF1 O14727 2/20 0.33
LMNA P02545 2/20 0.33
ERBB2 P04626 2/20 0.33
FYN P06241 2/20 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
SCHEMBL4581674 1.00 SHBG (0.50) SHBGCYP3A4SMN1; SMN2HIF1ACYP2D6
SCHEMBL29065752 0.85 SHBG (0.53) SHBGCYP3A4SMN1; SMN2HIF1ACYP2D6
SCHEMBL12780419 0.83 SHBG (0.52) SHBGCYP3A4SMN1; SMN2HIF1ACYP2D6
SCHEMBL412429 0.81 SHBG (0.50) SHBGCYP3A4SMN1; SMN2HIF1ACYP2D6
SCHEMBL14825135 0.79 SHBG (0.47) SHBGCYP3A4SMN1; SMN2HIF1ACYP2D6
SCHEMBL14848456 0.79 SHBG (0.47) SHBGCYP3A4SMN1; SMN2HIF1ACYP2D6
SCHEMBL18286393 0.79 SHBG (0.47) SHBGCYP3A4SMN1; SMN2HIF1ACYP2D6
SCHEMBL800957 0.78 TSHR (0.42) SMN1; SMN2MEN1MAPTKMT2AALDH1A1
SCHEMBL4263451 0.78 TSHR (0.42) SMN1; SMN2MEN1MAPTKMT2AALDH1A1
SCHEMBL9956810 0.78 TSHR (0.42) SMN1; SMN2MEN1MAPTKMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8304514-B2 Conjugated polymer, method for preparing the same, and optoelectronic device employing the same NATIONAL TAIWAN UNIVERSITY OF SCIENCE & TECHNOLOGY (TW) 2012-11-06 US disclosed
US-8304514-B2 Conjugated polymer, method for preparing the same, and optoelectronic device employing the same NATIONAL TAIWAN UNIVERSITY OF SCIENCE & TECHNOLOGY (TW) 2012-11-06 US disclosed
US-8304514-B2 Conjugated polymer, method for preparing the same, and optoelectronic device employing the same NATIONAL TAIWAN UNIVERSITY OF SCIENCE & TECHNOLOGY (TW) 2012-11-06 US disclosed
US-20120017994-A1 CONJUGATED POLYMER, METHOD FOR PREPARING THE SAME, AND OPTOELECTRONIC DEVICE EMPLOYING THE SAME NATIONAL TAIWAN UNIVERSITY OF SCIENCE & TECHNOLOGY (TW) 2012-01-26 US disclosed
US-20120017994-A1 CONJUGATED POLYMER, METHOD FOR PREPARING THE SAME, AND OPTOELECTRONIC DEVICE EMPLOYING THE SAME NATIONAL TAIWAN UNIVERSITY OF SCIENCE & TECHNOLOGY (TW) 2012-01-26 US disclosed
US-20120017994-A1 CONJUGATED POLYMER, METHOD FOR PREPARING THE SAME, AND OPTOELECTRONIC DEVICE EMPLOYING THE SAME NATIONAL TAIWAN UNIVERSITY OF SCIENCE & TECHNOLOGY (TW) 2012-01-26 US disclosed