SCHEMBL9521081

SCHEMBL9521081

COCc1cc(CCCOc2ccc(-c3noc(C)n3)cc2[N+](=O)[O-])on1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.41
POLB P06746 8/20 0.40
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
ALDH1A1 P00352 3/20 0.39
MEN1 O00255 2/20 0.39
NFKB1 P19838 2/20 0.39
NFKB2 Q00653 2/20 0.39
KMT2A Q03164 2/20 0.39
RELA Q04206 2/20 0.39
MAPK1 P28482 2/20 0.39
HPGD P15428 1/20 0.39
TP53 P04637 3/20 0.39
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
LMNA P02545 2/20 0.38
RECQL P46063 1/20 0.38

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
SCHEMBL9520640 0.82 MAPT (0.40) MAPTALDH1A1MEN1KMT2AMAPK1
SCHEMBL9523548 0.81 S1PR1 (0.45) S1PR1
SCHEMBL9521541 0.80 AOC3 (0.43) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL9521623 0.79 NPC1 (0.44) MAPTPOLBNPC1RAB9ASMN1; SMN2
SCHEMBL9521718 0.76 CYP3A4 (0.55) MAPTALDH1A1MEN1KMT2AMAPK1
SCHEMBL8135973 0.76 NR1I2 (0.61) POLBNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL9520566 0.75 NR1I2 (0.44) MAPTMAPK1HPGDLMNA
SCHEMBL9521817 0.73 CYP3A4 (0.51) MAPTALDH1A1MEN1KMT2AMAPK1
SCHEMBL9520549 0.73 CYP3A4 (0.51) MAPTALDH1A1MEN1KMT2AMAPK1
SCHEMBL9522218 0.72 MAPT (0.39) MAPTPOLBNPC1RAB9ASMN1; 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
EP-0523803-A1 1,2,4-Oxadiazolyl-phenoxy-alkylisoxazoles and their use as antiviral agents STERLING WINTHROP INC. (US) 1993-01-20 EP disclosed