SCHEMBL9760689

SCHEMBL9760689

COC(OC)c1cc(Cc2ccccc2-n2ccnc2)ccc1NC(C)=O

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 8/20 0.39
FGFR1 P11362 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
IDO1 P14902 1/20 0.37
AAK1 Q2M2I8 1/20 0.36
CD38 P28907 1/20 0.36
CYP19A1 P11511 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
MAPK8 P45983 1/20 0.35
MAPK10 P53779 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HTR5A P47898 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL9760168 0.82 IDO1 (0.39) CYP3A4FGFR1ALDH1A1MEN1KMT2A
SCHEMBL10580662 0.80 HTT (0.42) CYP3A4ALDH1A1MEN1KMT2AIDO1
SCHEMBL9193261 0.79 GAA (0.42) ALDH1A1L3MBTL1
SCHEMBL9759953 0.74 IDO1 (0.41) CYP3A4ALDH1A1MEN1KMT2AIDO1
SCHEMBL9760996 0.73 CYP3A4 (0.40) CYP3A4ALDH1A1MEN1KMT2AIDO1
SCHEMBL11555544 0.72 KMT2A (0.58) CYP3A4ALDH1A1MEN1KMT2AIDO1
SCHEMBL9195914 0.72 CYP3A4 (0.38) CYP3A4FGFR1ALDH1A1MEN1KMT2A
SCHEMBL9195939 0.71 CYP19A1 (0.49) CYP3A4ALDH1A1MEN1KMT2AIDO1
SCHEMBL10581971 0.70 GRIK1 (0.41) FGFR1ALDH1A1MEN1KMT2AIDO1
SCHEMBL27999214 0.70 CYP19A1 (0.50) CYP3A4FGFR1ALDH1A1MEN1KMT2A

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-5037829-A Antitumor Activity; Androgen, Estrogen Inhibitors; Suppress The Plasma Elimination Of Retinoids JANSSEN PHARMACEUTICA N.V. (BE) 1991-08-06 US disclosed