SCHEMBL17051986

SCHEMBL17051986

CCCCCCCCC1(CCCCCCCC)c2cc(C)ccc2-c2ccc(-c3cc(-c4ccc(-c5ccc(C)cc5)cc4)nc(-c4ccc(C#N)cc4)n3)cc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
KDM4E B2RXH2 4/20 0.37
ALDH1A1 P00352 4/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
RAB9A P51151 1/20 0.37
HPGD P15428 3/20 0.36
HTT P42858 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ABCG2 Q9UNQ0 2/20 0.34
ABCB1 P08183 1/20 0.34
ADORA3 P0DMS8 2/20 0.34
GRM2 Q14416 1/20 0.34
ICMT O60725 1/20 0.33
MGAT2 Q10469 1/20 0.33
ADORA1 P30542 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
SCHEMBL17051694 0.98 TSHR (0.39) TSHRHSD17B10KDM4EALDH1A1SMN1; SMN2
SCHEMBL17051697 0.95 TSHR (0.37) TSHRHSD17B10KDM4EALDH1A1SMN1; SMN2
SCHEMBL17052018 0.94 ABCG2 (0.39) TSHRHSD17B10KDM4EALDH1A1SMN1; SMN2
SCHEMBL17051772 0.94 ABCG2 (0.38) TSHRHSD17B10KDM4EALDH1A1HPGD
SCHEMBL17051996 0.93 KDM4E (0.34) TSHRHSD17B10KDM4EALDH1A1SMN1; SMN2
SCHEMBL17052019 0.93 ABCG2 (0.38) TSHRHSD17B10KDM4EALDH1A1HPGD
SCHEMBL17051771 0.93 ABCG2 (0.38) TSHRHSD17B10KDM4EALDH1A1HPGD
SCHEMBL17051737 0.93 TSHR (0.35) TSHRHSD17B10KDM4EALDH1A1SMN1; SMN2
SCHEMBL17052005 0.91 TSHR (0.35) TSHRHSD17B10KDM4EALDH1A1SMN1; SMN2
SCHEMBL17051690 0.91 TSHR (0.39) TSHRHSD17B10KDM4EALDH1A1SMN1; SMN2

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-10038143-B2 Polymer compound, material for electronic elements, material for organic electroluminescent elements, and organic electroluminescent element IDEMITSU KOSAN CO., LTD. (JP) 2018-07-31 US disclosed
US-20150249215-A1 POLYMER COMPOUND, MATERIAL FOR ELECTRONIC ELEMENTS, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, AND ORGANIC ELECTROLUMINESCENT ELEMENT IDEMITSU KOSAN CO., LTD. (JP) 2015-09-03 US disclosed