SCHEMBL9769722

SCHEMBL9769722

Cc1cc(=O)n(-c2ccc(C(F)(F)F)cc2[N+](=O)[O-])o1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.57
ALDH1A1 P00352 4/20 0.53
KDM4E B2RXH2 1/20 0.53
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
MAPT P10636 3/20 0.48
LMNA P02545 3/20 0.47
MAPK1 P28482 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
CYP3A4 P08684 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
MASP2 O00187 1/20 0.42
F2 P00734 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
PHGDH O43175 2/20 0.40
RECQL P46063 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL9586675 0.85 GAA (0.52) GAAALDH1A1KDM4EMEN1KMT2A
SCHEMBL9586378 0.81 GAA (0.47) GAAALDH1A1KDM4EMEN1KMT2A
SCHEMBL9586765 0.79 KIF11 (0.46) GAAALDH1A1KDM4EMEN1KMT2A
SCHEMBL9769696 0.77 GAA (0.55) GAAALDH1A1KDM4EMEN1KMT2A
SCHEMBL9586884 0.76 THRB (0.51) GAAALDH1A1KDM4EMEN1KMT2A
SCHEMBL9587792 0.75 HTT (0.55) GAAALDH1A1KDM4EMEN1KMT2A
SCHEMBL995608 0.73 GAA (0.73) GAAALDH1A1KDM4EMEN1KMT2A
SCHEMBL4416018 0.71 MAPK1 (0.57) GAAALDH1A1KDM4EMEN1KMT2A
SCHEMBL29127005 0.71 ALDH1A1 (0.58) GAAALDH1A1KDM4EMEN1KMT2A
SCHEMBL995959 0.70 GAA (0.65) GAAALDH1A1KDM4EMEN1KMT2A

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-5071994-A Intermediates for positive working photographic compounds, analgesics; anti-inflammatory agents FUJI PHOTO FILM CO., LTD. (JP) 1991-12-10 US disclosed
US-4950764-A HERBICIDES, BACTERICIDES, ANALGESICS, ANTIINFLAMMATORY AGENT FUJI PHOTO FILM CO., LTD. (JP) 1990-08-21 US disclosed