SCHEMBL11057388

SCHEMBL11057388

Cc1cccc(OCC(O)CN2C(=O)C3CCCN3c3ncccc32)c1C

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.54
▸ MEN1 O00255 2/20 0.54
▸ ABCB1 P08183 13/20 0.47
▸ LDHA P00338 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ HTT P42858 1/20 0.44

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
SCHEMBL11055326 0.74 MEN1 (0.66) KMT2AMEN1ALDH1A1MAPT
SCHEMBL11056923 0.69 KMT2A (0.64) KMT2AMEN1ALDH1A1
SCHEMBL22639884 0.69 LMNA (0.70) KMT2AMEN1ABCB1LDHAALDH1A1
SCHEMBL22639882 0.69 LMNA (0.70) KMT2AMEN1ABCB1LDHAALDH1A1
SCHEMBL11065237 0.69 MEN1 (0.81) KMT2AMEN1ALDH1A1MAPT
SCHEMBL11061130 0.68 KMT2A (0.79) KMT2AMEN1ALDH1A1LMNAMAPT
SCHEMBL4903750 0.64 HTR1A (0.75) —
SCHEMBL22639821 0.64 ABCB1 (0.67) KMT2AMEN1ABCB1LDHAALDH1A1
SCHEMBL16392428 0.64 ABCB1 (0.67) KMT2AMEN1ABCB1LDHAALDH1A1
SCHEMBL11653579 0.62 LMNA (0.62) KMT2AMEN1ALDH1A1LMNAMAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4446323-A Tetra- and hexa-hydropyrrolo(1,2-a)quinoxaline and azaquinoxaline derivatives AMERICAN HOME PRODUCTS CORPORATION (US) 1984-05-01 — — US claimed
US-4446323-A Tetra- and hexa-hydropyrrolo(1,2-a)quinoxaline and azaquinoxaline derivatives AMERICAN HOME PRODUCTS CORPORATION (US) 1984-05-01 — — US disclosed
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