SCHEMBL19799301

SCHEMBL19799301

CCCCCCCCCCCCOc1cc([N+](=O)[O-])c([N+](=O)[O-])cc1C

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
THRA P10827 2/20 0.48
THRB P10828 2/20 0.48
ESR1 P03372 1/20 0.48
CYP19A1 P11511 4/20 0.46
MAPT P10636 5/20 0.45
LMNA P02545 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
PLA2G4B P0C869 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
PRSS1 P07477 2/20 0.43
GAA P10253 1/20 0.42
ALDH1A1 P00352 2/20 0.41
TDP1 Q9NUW8 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
SCHEMBL6933094 0.90 ESR1 (0.52) THRATHRBESR1CYP19A1MAPT
SCHEMBL2249192 0.90 ESR1 (0.52) THRATHRBESR1CYP19A1MAPT
SCHEMBL28091947 0.86 MAPT (0.48) THRATHRBMAPTLMNANPSR1
SCHEMBL9322138 0.82 THRA (0.54) THRATHRBESR1CYP19A1MAPT
SCHEMBL28081960 0.81 MAPT (0.48) CYP19A1MAPTLMNASMN1; SMN2GAA
SCHEMBL11229570 0.80 THRA (0.50) THRATHRBESR1CYP19A1MAPT
SCHEMBL28401823 0.80 MAPT (0.47) THRATHRBESR1CYP19A1MAPT
SCHEMBL11245167 0.80 ALDH1A1 (0.40) MAPTSMN1; SMN2L3MBTL1PRSS1GAA
SCHEMBL862599 0.79 ESR1 (0.51) THRATHRBESR1MAPTLMNA
SCHEMBL13475563 0.79 ESR1 (0.51) THRATHRBESR1MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180026192-A1 POLYMER AND ORGANIC SOLAR CELL COMPRISING SAME LG CHEM, LTD. (KR) 2018-01-25 US disclosed