SCHEMBL8870682

SCHEMBL8870682

Nc1c([N+](=O)[O-])ccc(-c2ccc(Cl)cc2C(F)(F)F)c1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.43
MAPK1 P28482 2/20 0.43
PDE7A Q13946 6/20 0.39
POLB P06746 2/20 0.39
LMNA P02545 1/20 0.39
ALDH1A1 P00352 4/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
CYP3A4 P08684 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
HIF1A Q16665 1/20 0.38
TXNRD1 Q16881 1/20 0.38
TXNRD3 Q86VQ6 1/20 0.38
TXNRD2 Q9NNW7 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CCR2 P41597 3/20 0.38
PDE7B Q9NP56 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
VCAM1 P19320 1/20 0.35

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
SCHEMBL15329508 0.79 TSHR (0.43) TSHRMAPK1PDE7APOLBLMNA
SCHEMBL3610741 0.78 TSHR (0.58) TSHRMAPK1POLBLMNAALDH1A1
SCHEMBL32682192 0.78 TSHR (0.58) TSHRMAPK1POLBLMNAALDH1A1
SCHEMBL27426321 0.77 TSHR (0.46) TSHRMAPK1POLBLMNAALDH1A1
SCHEMBL30153092 0.74 ALDH1A1 (0.45) TSHRMAPK1POLBLMNAALDH1A1
SCHEMBL11429558 0.73 PDE7A (0.52) TSHRMAPK1PDE7APOLBLMNA
SCHEMBL30867127 0.72 TSHR (0.54) TSHRMAPK1POLBGLAGAA
SCHEMBL203703 0.72 ALDH1A1 (0.51) TSHRMAPK1PDE7ALMNAALDH1A1
SCHEMBL29189985 0.72 ALDH1A1 (0.50) TSHRMAPK1POLBLMNAALDH1A1
SCHEMBL2653845 0.72 CCR2 (0.55) TSHRMAPK1PDE7ALMNAALDH1A1

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-5612483-A AMINATION BAYER AKTIENGESELLSCHAFT (DE) 1997-03-18 US disclosed