SCHEMBL5754745

SCHEMBL5754745

N#Cc1ccc2c(c1)CN(S(=O)(=O)c1cccs1)C(Cc1ccccc1)CN2.c1ccc2c(c1)CNCCN2

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ FNTA P49354 11/20 0.55
▸ FNTB P49356 11/20 0.55
▸ HRAS P01112 1/20 0.55
▸ KRAS P01116 1/20 0.55
▸ PGGT1B P53609 1/20 0.55
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ POLB P06746 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ GCKR Q14397 1/20 0.32
▸ PKM P14618 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ TDP1 Q9NUW8 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
SCHEMBL5755053 0.92 FNTA (0.62) FNTAFNTBHRASKRASPGGT1B
SCHEMBL5790292 0.92 FNTA (0.62) FNTAFNTBHRASKRASPGGT1B
SCHEMBL6614317 0.88 FNTA (0.58) FNTAFNTBHRASKRASPGGT1B
SCHEMBL5787326 0.80 FNTA (0.59) FNTAFNTBHRASKRASPGGT1B
SCHEMBL5787316 0.80 FNTA (0.59) FNTAFNTBHRASKRASPGGT1B
SCHEMBL5757506 0.79 FNTA (0.47) FNTAFNTBHRASKRASPGGT1B
SCHEMBL5757513 0.79 FNTA (0.47) FNTAFNTBHRASKRASPGGT1B
SCHEMBL7666114 0.77 FNTA (0.47) FNTAFNTBHRASKRASPGGT1B
SCHEMBL6615549 0.77 FNTA (0.47) FNTAFNTBHRASKRASPGGT1B
SCHEMBL6630924 0.77 FNTA (0.58) FNTAFNTBHRASKRASPGGT1B

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1140786-B9 REDUCTIVE ALKYLATION OF SECONDARY AMINES WITH HYDROSILANE BRISTOL MYERS SQUIBB CO (US) 2006-05-10 — — EP claimed
EP-1140786-B1 REDUCTIVE ALKYLATION OF SECONDARY AMINES WITH HYDROSILANE BRISTOL MYERS SQUIBB CO (US) 2005-11-30 — — EP claimed
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