SCHEMBL1432148

SCHEMBL1432148

COc1cccc(C[C@H](NC(=O)C2CCCN2C)C(=O)NCc2ccc(N)nc2)c1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.43
▸ KLKB1 P03952 2/20 0.43
▸ PPIB P23284 1/20 0.42
▸ FAP Q12884 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ LMNA P02545 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ HRH3 Q9Y5N1 1/20 0.41
▸ PKM P14618 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
SCHEMBL1433004 0.92 PPIB (0.43) KMT2AKLKB1PPIBFAPTSHR
SCHEMBL1431672 0.92 KMT2A (0.42) KMT2AKLKB1PPIBTSHRLMNA
SCHEMBL1432803 0.90 CTSB (0.41) KMT2AKLKB1PPIBALDH1A1MEN1
SCHEMBL1432409 0.90 CTSL (0.48) —
SCHEMBL1432319 0.90 KMT2A (0.43) KMT2AKLKB1PPIBLMNAALDH1A1
SCHEMBL1433055 0.90 KMT2A (0.43) KMT2AKLKB1PPIBLMNAALDH1A1
SCHEMBL1432377 0.88 MAPK14 (0.45) KMT2ATSHR
SCHEMBL1431638 0.87 DPP4 (0.40) KMT2AKLKB1PPIBLMNAALDH1A1
SCHEMBL1432180 0.87 DPP4 (0.40) KMT2AKLKB1PPIBLMNAALDH1A1
Hydrochloric Acid SCHEMBL1432515 0.86 DPP4 (0.40) KMT2AKLKB1PPIBLMNAALDH1A1

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-2300428-A1 AMINOPYRIDINE DERIVATIVES Vantia Limited (GB) 2011-03-30 — — EP disclosed
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