SCHEMBL7650126

SCHEMBL7650126

COC(=O)C(CCSC)NC(=O)CN1C(=O)N(CCCc2cn(C(c3ccccc3)(c3ccccc3)c3ccccc3)cn2)C(=O)C1(C)c1cccc2ccccc12

nearest known ligand 0.68

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
FNTA P49354 10/20 0.68
FNTB P49356 10/20 0.68
SIRT2 Q8IXJ6 9/20 0.42

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
SCHEMBL7658679 0.89 FNTA (0.53) FNTAFNTBSIRT2
SCHEMBL8121014 0.85 FNTA (0.72) FNTAFNTB
SCHEMBL7653520 0.85 FNTA (0.78) FNTAFNTB
SCHEMBL7654669 0.82 FNTA (0.65) FNTAFNTB
SCHEMBL7656283 0.81 FNTA (0.77) FNTAFNTB
SCHEMBL7658680 0.80 FNTA (0.45) FNTAFNTBSIRT2
SCHEMBL7651934 0.79 FNTA (0.77) FNTAFNTB
SCHEMBL7656712 0.76 FNTA (0.67) FNTAFNTB
SCHEMBL7656240 0.75 FNTA (1.00) FNTAFNTB
SCHEMBL7656698 0.75 FNTA (0.77) FNTAFNTB

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-6384061-B1 HYDANTOIN COMPOUNDS REPRESENTED BY FORMULA (I) WHICH SHOWS AN INHIBITORY ACTIVITY AGAINST FARNESYL TRANSFERASE, AND THUS CAN BE USED AS AN ANTI-CANCER AGENT, OR PHARMACEUTICALLY ACCEPTABLE SALTS LG CHEMICAL LTD. (KR) 2002-05-07 US disclosed