SCHEMBL11530613

SCHEMBL11530613

CCOC(=O)c1cc(CC)sc1Nc1cc(F)c(F)cc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.51
GAA P10253 3/20 0.51
POLB P06746 2/20 0.51
HIF1A Q16665 1/20 0.51
ALDH1A1 P00352 9/20 0.49
KMT2A Q03164 2/20 0.49
KDM4E B2RXH2 4/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
ALOX12 P18054 1/20 0.47
MEN1 O00255 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
NPSR1 Q6W5P4 2/20 0.46
LMNA P02545 4/20 0.46
HPGD P15428 4/20 0.46
GALR2 O43603 1/20 0.46
MITF O75030 1/20 0.46
HSP90AA1 P07900 1/20 0.46
XBP1 P17861 1/20 0.46
CCR6 P51684 1/20 0.46
MAPK1 P28482 1/20 0.45

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
SCHEMBL11530416 0.88 ALDH1A1 (0.50) MAPTGAAPOLBHIF1AALDH1A1
SCHEMBL11532438 0.88 ALDH1A1 (0.52) MAPTGAAPOLBHIF1AALDH1A1
SCHEMBL11537678 0.85 ALDH1A1 (0.54) MAPTGAAPOLBHIF1AALDH1A1
SCHEMBL11535384 0.84 ALDH1A1 (0.56) MAPTGAAPOLBHIF1AALDH1A1
SCHEMBL11531670 0.84 MAPT (0.54) MAPTGAAPOLBHIF1AALDH1A1
SCHEMBL11531593 0.83 ALDH1A1 (0.47) MAPTGAAPOLBHIF1AALDH1A1
SCHEMBL11533991 0.83 ALDH1A1 (0.50) MAPTGAAPOLBHIF1AALDH1A1
SCHEMBL11530538 0.83 ALDH1A1 (0.50) MAPTGAAPOLBHIF1AALDH1A1
SCHEMBL11530571 0.83 ALDH1A1 (0.54) MAPTGAAPOLBHIF1AALDH1A1
SCHEMBL11537764 0.83 HTT (0.51) MAPTGAAPOLBHIF1AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4172831-A CENTRAL NERVOUS SYSTEM LILLY INDUSTRIES LIMITED (GB) 1979-10-30 US disclosed
US-4115568-A CNS ACTIVITY LILLY INDUSTRIES LIMITED (GB) 1978-09-19 US disclosed
US-4115574-A CNS ACTIVITY LILLY INDUSTRIES LIMITED (GB) 1978-09-19 US disclosed