SCHEMBL13070152

SCHEMBL13070152

Bc1ccc(C(=O)NC(C)(C)C(=O)Nc2ccc3c(c2)CCN(C)CC3)s1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 4/20 0.49
▸ F10 P00742 4/20 0.47
▸ RAB9A P51151 3/20 0.42
▸ NPC1 O15118 2/20 0.42
▸ NFKB1 P19838 2/20 0.42
▸ NFKB2 Q00653 2/20 0.42
▸ RELA Q04206 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ CASP3 P42574 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ SENP8 Q96LD8 1/20 0.42
▸ SENP7 Q9BQF6 1/20 0.42
▸ SENP6 Q9GZR1 1/20 0.42
▸ ROCK2 O75116 6/20 0.39
▸ LMNA P02545 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ MAPT P10636 1/20 0.36

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
SCHEMBL3036898 0.88 AR (0.58) ARF10RAB9ANPC1NFKB1
SCHEMBL2570856 0.88 AR (0.62) ARF10RAB9ANPC1NFKB1
SCHEMBL2572274 0.88 AR (0.60) ARF10RAB9ANPC1NFKB1
SCHEMBL3027962 0.87 F10 (0.46) ARF10RAB9ANPC1NFKB1
SCHEMBL2566594 0.85 AR (0.46) ARF10RAB9ANPC1NFKB1
SCHEMBL3027914 0.79 F10 (0.61) ARF10RAB9ANPC1NFKB1
SCHEMBL3032258 0.78 AR (0.58) ARF10RAB9ANPC1NFKB1
SCHEMBL2569536 0.78 AR (0.58) ARF10RAB9ANPC1NFKB1
SCHEMBL3027612 0.77 F10 (0.61) ARF10RAB9ANPC1NFKB1
SCHEMBL3025755 0.77 AR (0.60) ARF10RAB9ANPC1NFKB1

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
EP-1899330-B1 SUBSTITUTED GLYCINAMIDES HAVING AN ANTITHROMBOTIC AND FACTOR XA-INHIBITING EFFECT BOEHRINGER INGELHEIM INT (DE) 2010-11-24 — — EP disclosed
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