SCHEMBL17849333

SCHEMBL17849333

C=Cc1ccc(-c2ccc(N(c3ccc(C(C)(C)C)cc3)c3ccc(C(C)(C)C)cc3)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 4/20 0.41
ALDH1A1 P00352 2/20 0.39
CYP1A2 P05177 1/20 0.37
ASIC1 P78348 1/20 0.36
TSHR P16473 2/20 0.34
GRIN2D O15399 2/20 0.34
GRIN3B O60391 2/20 0.34
GRIN1 Q05586 2/20 0.34
GRIN2A Q12879 2/20 0.34
GRIN2B Q13224 2/20 0.34
GRIN2C Q14957 2/20 0.34
GRIN3A Q8TCU5 2/20 0.34
HTR1D P28221 1/20 0.34
ADRA1A P35348 1/20 0.34
NISCH Q9Y2I1 1/20 0.34
XDH P47989 1/20 0.34
LMNA P02545 2/20 0.33
RAB9A P51151 2/20 0.33
AMY1A P0DUB6 1/20 0.33
PKM P14618 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
SCHEMBL5397905 1.00 KIF11 (0.41) KIF11ALDH1A1CYP1A2ASIC1TSHR
SCHEMBL5491165 0.94 ALDH1A1 (0.44) KIF11ALDH1A1CYP1A2TSHRGRIN2D
SCHEMBL14292451 0.91 RAB9A (0.44) KIF11ALDH1A1CYP1A2ASIC1XDH
SCHEMBL9131731 0.87 KIF11 (0.48) KIF11ALDH1A1CYP1A2ASIC1TSHR
SCHEMBL13358460 0.85 CYP1A2 (0.47) KIF11ALDH1A1CYP1A2ASIC1TSHR
SCHEMBL10020861 0.84 ALDH1A1 (0.55) ALDH1A1CYP1A2TSHR
SCHEMBL16343998 0.84 KIF11 (0.54) KIF11ALDH1A1TSHRHTR1DADRA1A
SCHEMBL17529598 0.84 ALDH1A1 (0.55) ALDH1A1CYP1A2TSHR
SCHEMBL8642413 0.84 KIF11 (0.54) KIF11ALDH1A1TSHRHTR1DADRA1A
SCHEMBL12951069 0.84 KIF11 (0.54) KIF11ALDH1A1TSHRHTR1DADRA1A

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
US-9373791-B2 Hole transport polymeric compound and polymer light emitting diode using the same GWANGJU INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2016-06-21 US disclosed
US-9373791-B2 Hole transport polymeric compound and polymer light emitting diode using the same GWANGJU INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2016-06-21 US disclosed