SCHEMBL7904990

SCHEMBL7904990

Fc1ccc(F)c(Oc2nnc(-c3ccccc3)c3ccccc23)c1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 6/20 0.55
HTT P42858 5/20 0.55
MEN1 O00255 5/20 0.55
KMT2A Q03164 5/20 0.55
ALDH1A1 P00352 4/20 0.55
LMNA P02545 3/20 0.55
MAPT P10636 2/20 0.55
ESR1 P03372 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.49
TP53 P04637 1/20 0.41
TSHR P16473 1/20 0.41
TRPA1 O75762 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
MAP2K4 P45985 1/20 0.39

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
SCHEMBL7915167 0.80 HTT (0.73) NPSR1HTTMEN1KMT2AALDH1A1
SCHEMBL7913320 0.79 NPSR1 (0.61) NPSR1HTTMEN1KMT2AALDH1A1
SCHEMBL7914884 0.78 ALDH1A1 (0.66) NPSR1HTTMEN1KMT2AALDH1A1
SCHEMBL7913419 0.77 NPSR1 (0.60) NPSR1HTTMEN1KMT2AALDH1A1
SCHEMBL7912157 0.75 LMNA (0.55) NPSR1HTTMEN1KMT2AALDH1A1
SCHEMBL7914894 0.74 NPSR1 (0.57) NPSR1HTTMEN1KMT2AALDH1A1
SCHEMBL7918577 0.74 NPSR1 (0.61) NPSR1HTTMEN1KMT2AALDH1A1
SCHEMBL27965124 0.74 KMT2A (0.79) NPSR1HTTMEN1KMT2AALDH1A1
SCHEMBL7912332 0.73 NPSR1 (0.68) NPSR1HTTMEN1KMT2AALDH1A1
SCHEMBL27956430 0.72 ALDH1A1 (0.69) NPSR1HTTMEN1KMT2AALDH1A1

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-6207666-B1 TREATING PRECANCEROUS LESIONS BY ADMINISTERING 4-PHENYLPHTHALAZINE DERIVATIVE CELL PATHWAYS, INC. 2001-03-27 US disclosed