SCHEMBL19365407

SCHEMBL19365407

CCN1CCCN(C(=O)Nc2ccc3[nH]ncc3c2)c2nc(-c3cccc(C(F)(F)F)c3)ccc21

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.49
▸ POLB P06746 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ TRPV1 Q8NER1 9/20 0.46
▸ JAK3 P52333 1/20 0.46
▸ ROCK1 Q13464 1/20 0.43
▸ ROCK2 O75116 3/20 0.42
▸ CDC7 O00311 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ CYP11B1 P15538 1/20 0.40
▸ CYP11B2 P19099 1/20 0.40
▸ DDR2 Q16832 1/20 0.40

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
SCHEMBL19365749 0.87 CA2 (0.42) MEN1POLBKMT2ATRPV1
SCHEMBL19670249 0.85 CA2 (0.42) TRPV1
SCHEMBL16776362 0.84 TRPV1 (0.51) MEN1POLBKMT2ATRPV1JAK3
SCHEMBL17623988 0.82 NPC1 (0.37) MEN1KMT2ANPC1
SCHEMBL19670123 0.82 TRPA1 (0.37) —
SCHEMBL19364921 0.81 KIF18A (0.38) MEN1KMT2ANPC1
SCHEMBL20633183 0.81 JAK3 (0.45) MEN1POLBKMT2ATRPV1JAK3
SCHEMBL19365694 0.81 CHRM3 (0.45) MEN1KMT2A
SCHEMBL19365573 0.81 CA2 (0.39) —
SCHEMBL19670366 0.79 NAMPT (0.42) POLBROCK2

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-9765075-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-09-19 — — US disclosed
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