SCHEMBL7976359

SCHEMBL7976359

COc1cc(N(C)C)c(F)cc1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.42
ALDH1A1 P00352 7/20 0.42
MAPT P10636 3/20 0.41
KDM4E B2RXH2 2/20 0.41
CYP3A4 P08684 1/20 0.41
ALOX15 P16050 1/20 0.41
PRKDC P78527 1/20 0.41
HSD17B10 Q99714 1/20 0.41
POLB P06746 2/20 0.39
TP53 P04637 1/20 0.39
LMNA P02545 2/20 0.39
HTT P42858 2/20 0.39
HCAR3 P49019 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38
TUBA3C P0DPH7 1/20 0.38
TUBA1B P68363 1/20 0.38
TUBA4A P68366 1/20 0.38
TUBB4B P68371 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
SCHEMBL517768 0.83 ALDH1A1 (0.50) TDP1ALDH1A1MAPTKDM4ECYP3A4
SCHEMBL29661436 0.83 ALDH1A1 (0.50) TDP1ALDH1A1MAPTKDM4ECYP3A4
SCHEMBL6371735 0.81 ALDH1A1 (0.48) TDP1ALDH1A1MAPTKDM4ECYP3A4
SCHEMBL7973475 0.81 ATM (0.46) TDP1ALDH1A1MAPTKDM4EHTT
SCHEMBL30954094 0.81 ALDH1A1 (0.48) TDP1ALDH1A1MAPTKDM4ECYP3A4
SCHEMBL19927661 0.78 ALDH1A1 (0.46) TDP1ALDH1A1MAPTKDM4ECYP3A4
SCHEMBL31757016 0.78 ALDH1A1 (0.51) TDP1ALDH1A1MAPTKDM4ECYP3A4
SCHEMBL30801468 0.78 ALDH1A1 (0.48) TDP1ALDH1A1MAPTKDM4ECYP3A4
SCHEMBL12458650 0.78 ALDH1A1 (0.48) TDP1ALDH1A1MAPTKDM4ECYP3A4
SCHEMBL25273441 0.77 LMNA (0.47) TDP1ALDH1A1MAPTKDM4ECYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6229055-B1 SYNTHESIS OF FLUORINATED RESORCINOL WHICH IS USEFUL IN THE PREPARATION OF FLUORINATED FLUORESCEIN AND RHODOL DYES SUITABLE FOR USE AS TRACERS, LABELS, OR INTERMEDIATES MOLECULAR PROBES, INC. 2001-05-08 US disclosed
US-6162931-A Fluorinated xanthene derivatives MOLECULAR PROBES, INC. (US) 2000-12-19 US disclosed