SCHEMBL20122649

SCHEMBL20122649

CCCC(C)(C)c1cc(N(C)CC)ncn1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.33
▸ ITGB2 P05107 1/20 0.32
▸ ICAM1 P05362 1/20 0.32
▸ ITGAL P20701 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
SCHEMBL19068905 0.87 CYP1A2 (0.35) —
SCHEMBL20122617 0.87 KMT2A (0.37) KMT2AITGB2ICAM1ITGAL
SCHEMBL16454357 0.83 KMT2A (0.36) KMT2AITGB2ICAM1ITGAL
SCHEMBL21091671 0.76 CNR2 (0.34) —
SCHEMBL15114916 0.70 KMT2A (0.39) KMT2AITGB2ICAM1ITGAL
SCHEMBL18737524 0.69 — —
SCHEMBL16091182 0.68 KMT2A (0.38) KMT2AITGB2ICAM1ITGAL
SCHEMBL20122655 0.66 CYP1A2 (0.37) —
SCHEMBL11960342 0.66 POLB (0.44) —
SCHEMBL16090760 0.65 EGFR (0.41) KMT2AITGB2ICAM1ITGAL

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-9963445-B2 Chemical compounds SYNGENTA LIMITED (GB) 2018-05-08 — — US disclosed
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