Sugi Predict

Sugi Predict / Compounds / SCHEMBL7684112

SCHEMBL7684112

SCHEMBL7684112

COc1ccc(/N=C(/NC#N)NCCCCCCCCCCN)cn1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 7/20 0.37
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ PABPC1 P11940 1/20 0.36
▸ HRH3 Q9Y5N1 1/20 0.36
▸ IMPDH2 P12268 7/20 0.35
▸ KCNJ11 Q14654 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.32
▸ MAPT P10636 1/20 0.32

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
SCHEMBL7262300 1.00 HRH4 (0.37) HRH4MEN1KMT2APABPC1HRH3
SCHEMBL7983257 0.94 HRH4 (0.40) HRH4MEN1KMT2APABPC1HRH3
SCHEMBL7261280 0.84 TDP1 (0.39) IMPDH2KCNJ11KDM4EMAPT
SCHEMBL7678626 0.84 TDP1 (0.39) IMPDH2KCNJ11KDM4EMAPT
SCHEMBL504463 0.82 KCNJ11 (0.50) IMPDH2KCNJ11
SCHEMBL504462 0.82 KCNJ11 (0.50) IMPDH2KCNJ11
SCHEMBL7677658 0.77 HRH4 (0.43) HRH4HRH3KCNJ11
SCHEMBL6954707 0.72 MPI (0.37) MEN1KMT2APABPC1IMPDH2KCNJ11
SCHEMBL6954705 0.72 MPI (0.37) MEN1KMT2APABPC1IMPDH2KCNJ11
SCHEMBL504414 0.72 ALDH1A1 (0.46) HRH4MEN1KMT2AIMPDH2KCNJ11

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-6346520-B1 ANTITUMOR AND ANTICARCINOGENIC AGENTS; PSORIASIS LEO PHARMACEUTICAL PRODUCTS, LTD. A/S (DK) 2002-02-12 — — US disclosed