SCHEMBL7527740

SCHEMBL7527740

NC(=O)c1ccccc1C(=O)NCCN1CCOCC1

nearest known ligand 0.72

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.66
▸ MEN1 O00255 1/20 0.66
▸ ALDH1A1 P00352 1/20 0.63
▸ BCL3 P20749 3/20 0.62
▸ HPGD P15428 1/20 0.61
▸ CD274 Q9NZQ7 1/20 0.61
▸ CYP1A2 P05177 1/20 0.58
▸ CYP2D6 P10635 1/20 0.58
▸ CYP2C19 P33261 1/20 0.58
▸ KDM5B Q9UGL1 1/20 0.58
▸ PARP1 P09874 1/20 0.57

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
SCHEMBL7526242 0.92 POLB (0.66) KMT2AALDH1A1BCL3HPGD
SCHEMBL21347706 0.86 KMT2A (0.66) KMT2AMEN1ALDH1A1BCL3HPGD
SCHEMBL31298077 0.85 KMT2A (0.67) KMT2AMEN1ALDH1A1BCL3HPGD
SCHEMBL13164059 0.84 MEN1 (0.66) KMT2AMEN1ALDH1A1BCL3HPGD
SCHEMBL8161181 0.84 BCL3 (0.84) KMT2AMEN1ALDH1A1BCL3HPGD
SCHEMBL8167729 0.84 KMT2A (0.66) KMT2AMEN1ALDH1A1BCL3HPGD
SCHEMBL24062684 0.83 KMT2A (0.62) KMT2AMEN1ALDH1A1BCL3HPGD
SCHEMBL10352662 0.83 KMT2A (0.65) KMT2AMEN1ALDH1A1BCL3HPGD
SCHEMBL8378435 0.83 KMT2A (0.65) KMT2AMEN1ALDH1A1BCL3HPGD
SCHEMBL5795351 0.82 KMT2A (0.63) KMT2AMEN1ALDH1A1BCL3HPGD

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-2002020437-A2 BASIC COMPOUNDS CONTAINING TERTIARY AMIDES WITH ACTIVITY ON TACHYKININ RECEPTORS, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM MENARINI RICERCHE S.P.A. (IT) 2002-03-14 — — WO disclosed
Send feedback