Sugi Predict

Sugi Predict / Compounds / SCHEMBL8095915

SCHEMBL8095915

SCHEMBL8095915

C[C@H](NC(=O)C1CCCN(C(=O)C(c2ccccc2)c2ccccc2)C1)c1cncn1Cc1ccc(C#N)cc1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ FNTA P49354 15/20 0.45
▸ FNTB P49356 15/20 0.45
▸ PGGT1B P53609 7/20 0.45
▸ CCR5 P51681 1/20 0.42
▸ CYP11B1 P15538 3/20 0.42
▸ CYP11B2 P19099 3/20 0.42
▸ ALOX12 P18054 1/20 0.41
▸ KCNH2 Q12809 1/20 0.41

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
SCHEMBL8103720 0.88 FNTA (0.46) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL8088396 0.88 FNTA (0.45) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL8104343 0.88 FAAH (0.48) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL8097915 0.88 FNTA (0.45) FNTAFNTBPGGT1BCCR5CYP11B1
SCHEMBL8098226 0.88 FNTA (0.45) FNTAFNTBPGGT1BCCR5CYP11B1
SCHEMBL446560 0.87 FNTA (0.45) FNTAFNTBPGGT1BCCR5CYP11B1
SCHEMBL8097931 0.86 KMT2A (0.51) FNTAFNTBPGGT1BCCR5CYP11B1
SCHEMBL8097930 0.86 FNTA (0.46) FNTAFNTBPGGT1BCCR5CYP11B1
SCHEMBL8101510 0.85 ALOX12 (0.49) FNTAFNTBPGGT1BALOX12
SCHEMBL8088808 0.85 CYP11B1 (0.44) FNTAFNTBPGGT1BCYP11B1CYP11B2

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-6127366-A ANTICARCINOGENIC OR ANTITUMOR AGENTS MERCK & CO., INC. (US) 2000-10-03 — — US disclosed