SCHEMBL7369875

SCHEMBL7369875

O=C(NCC1CCCCC1)c1cc([N+](=O)[O-])ccc1NC1CCCC1

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.66
ALDH1A1 P00352 4/20 0.60
KMT2A Q03164 1/20 0.60
POLB P06746 1/20 0.60
SMN1; SMN2 Q16637 3/20 0.54
LMNA P02545 1/20 0.54
CRHBP P24387 1/20 0.54
CRHR2 Q13324 1/20 0.54
L3MBTL1 Q9Y468 2/20 0.51
NPSR1 Q6W5P4 1/20 0.51
TBXA2R P21731 3/20 0.48
SLC6A2 P23975 1/20 0.48
SLC6A4 P31645 1/20 0.48
DRD3 P35462 1/20 0.48
SLC6A9 P48067 1/20 0.48
SLC6A5 Q9Y345 1/20 0.48
HCAR3 P49019 1/20 0.46

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
SCHEMBL6943274 0.94 MAPT (0.59) MAPTALDH1A1KMT2APOLBSMN1; SMN2
SCHEMBL6943278 0.94 MAPT (0.59) MAPTALDH1A1KMT2APOLBSMN1; SMN2
SCHEMBL29074799 0.86 MAPT (0.71) MAPTALDH1A1KMT2APOLBSMN1; SMN2
SCHEMBL6939682 0.84 MAPT (0.63) MAPTALDH1A1KMT2APOLBSMN1; SMN2
SCHEMBL6941716 0.84 MAPT (0.72) MAPTALDH1A1KMT2APOLBSMN1; SMN2
SCHEMBL6937248 0.84 MAPT (0.72) MAPTALDH1A1KMT2APOLBSMN1; SMN2
SCHEMBL6945457 0.83 TBXA2R (0.67) MAPTALDH1A1KMT2ASMN1; SMN2LMNA
SCHEMBL7367027 0.82 TBXA2R (0.61) MAPTALDH1A1KMT2ASMN1; SMN2LMNA
SCHEMBL6943602 0.82 MAPT (0.61) MAPTALDH1A1KMT2APOLBSMN1; SMN2
SCHEMBL10385892 0.82 MAPT (0.72) MAPTALDH1A1KMT2APOLBSMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001030745-A1 ANTHRANILIC ACID DERIVATIVES AS INHIBITORS OF THE CGMP-PHOSPHODIESTERASE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-05-03 WO disclosed