SCHEMBL11250481

SCHEMBL11250481

O=C1CCc2c(O)c([N+](=O)[O-])cc(OCc3ccccc3)c2N1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.43
MAOA P21397 2/20 0.41
MAOB P27338 2/20 0.41
POLB P06746 1/20 0.41
CTSV O60911 3/20 0.41
CTSL P07711 3/20 0.41
CYP19A1 P11511 2/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
ADH5 P11766 3/20 0.38
TACR3 P29371 2/20 0.38
HPD P32754 1/20 0.37

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
SCHEMBL6074738 0.77 BRD4 (0.46) BRD4MAOAMAOBCYP19A1CYP11B1
SCHEMBL17543446 0.75 MAOA (0.44) BRD4MAOAMAOBCTSVCTSL
SCHEMBL8316270 0.72 MEN1 (0.55) POLBCTSVCTSLCYP19A1CYP11B1
SCHEMBL27739027 0.71 CYP19A1 (0.54) MAOBPOLBCTSVCTSLCYP19A1
SCHEMBL17543140 0.70 MAOA (0.44) BRD4MAOAMAOBCTSVCTSL
SCHEMBL12100970 0.70 MAPT (0.52) BRD4MAOAMAOBCYP19A1CYP11B1
SCHEMBL7621934 0.70 PIN1 (0.49) POLBCTSVCTSLCYP19A1MEN1
SCHEMBL12559634 0.69 BRD4 (0.51) BRD4MAOAMAOBCYP19A1CYP11B1
SCHEMBL5594949 0.69 HTR1A (0.53) POLBCTSVCTSLMEN1MAPT
SCHEMBL1040246 0.69 CTSV (0.51) POLBCTSVCTSLCYP19A1CYP11B1

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-4327173-A CYANINE DYE-FORMING COUPLER; HEAT RESISTANCE; PHOTOSTABILITY; COLORFASTNESS FUJI PHOTO FILM CO., LTD. (JP) 1982-04-27 US disclosed