SCHEMBL7696764

SCHEMBL7696764

O=C(NCc1c(F)cccc1F)N1CCCCC1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.51
▸ MAPT P10636 2/20 0.51
▸ LMNA P02545 2/20 0.50
▸ HPGD P15428 1/20 0.46
▸ EPHX2 P34913 1/20 0.46
▸ POLB P06746 1/20 0.45
▸ RAB9A P51151 2/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ PKM P14618 3/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ TP53 P04637 1/20 0.44
▸ GAA P10253 1/20 0.43

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
SCHEMBL25195678 0.85 PKM (0.45) KMT2AMAPTPOLBNPC1ALDH1A1
SCHEMBL25220218 0.84 ALDH1A1 (0.47) KMT2AALDH1A1PKMMEN1TP53
SCHEMBL25210763 0.80 KMT2A (0.48) KMT2AMAPTPOLBRAB9ANPC1
SCHEMBL25206798 0.79 ALDH1A1 (0.43) KMT2ALMNAALDH1A1MEN1
SCHEMBL17863558 0.78 KDM4E (0.54) KMT2ALMNARAB9AMEN1TP53
SCHEMBL30417646 0.77 CHRNA4 (0.46) PKM
SCHEMBL14703142 0.77 KMT2A (0.41) KMT2AMAPTLMNAHPGDRAB9A
SCHEMBL5459563 0.76 ALDH1A1 (0.55) KMT2AMAPTLMNAEPHX2ALDH1A1
SCHEMBL5217325 0.76 KDM4E (0.68) KMT2ALMNAEPHX2ALDH1A1MEN1
SCHEMBL6559744 0.76 KDM4E (0.68) KMT2ALMNAEPHX2ALDH1A1MEN1

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
WO-2002006229-A2 HETEROCYCLIC BETA-3 ADRENERGIC RECEPTOR AGONISTS WYETH (US) 2002-01-24 — — WO disclosed
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