SCHEMBL4528899

SCHEMBL4528899

Nc1ccc(CN(Cc2ccc(N)cc2)c2ccc(N)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.56
CYP3A4 P08684 4/20 0.56
TDP1 Q9NUW8 4/20 0.56
TSHR P16473 3/20 0.56
GFER P55789 2/20 0.56
MAPK1 P28482 2/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
PSMD14 O00487 1/20 0.56
RECQL P46063 1/20 0.56
CYP2C19 P33261 2/20 0.48
LOXL2 Q9Y4K0 1/20 0.46
MAPT P10636 3/20 0.45
TP53 P04637 1/20 0.44
ALOX15 P16050 1/20 0.44
MAOB P27338 4/20 0.41
MAOA P21397 2/20 0.41
KDM4E B2RXH2 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41

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
SCHEMBL628354 0.89 MAOB (0.47) ALDH1A1CYP3A4TDP1TSHRGFER
SCHEMBL1981049 0.89 TSHR (0.55) ALDH1A1CYP3A4TDP1TSHRGFER
SCHEMBL1498777 0.89 CYP2C19 (0.64) ALDH1A1CYP3A4TDP1TSHRGFER
SCHEMBL24455918 0.84 TDP1 (0.57) ALDH1A1CYP3A4TDP1TSHRGFER
SCHEMBL628019 0.82 ALDH1A1 (0.39) ALDH1A1CYP3A4TDP1TSHRGFER
SCHEMBL18660145 0.81 CYP2C19 (0.55) ALDH1A1CYP3A4TDP1TSHRGFER
SCHEMBL13151308 0.78 TSHR (0.44) ALDH1A1CYP3A4TDP1TSHRGFER
SCHEMBL10807532 0.78 TSHR (0.75) ALDH1A1CYP3A4TDP1TSHRGFER
SCHEMBL11733554 0.78 TSHR (0.75) ALDH1A1CYP3A4TDP1TSHRGFER
SCHEMBL16700402 0.76 MAPT (0.61) ALDH1A1CYP3A4TDP1TSHRGFER

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-7582691-B2 Poly(arylene ether) compositions and articles SABIC INNOVATIVE PLASTICS IP B.V. (NL) 2009-09-01 US disclosed
US-20080171817-A1 POLY(ARYLENE ETHER) COMPOSITIONS AND ARTICLES SHPP GLOBAL TECHNOLOGIES B.V. (NL) 2008-07-17 US disclosed