SCHEMBL10856141

SCHEMBL10856141

COc1cccc(C=C2CCn3c2nc2cc(NC(=O)CCN4CCOCC4)ccc2c3=O)c1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NME2 P22392 6/20 0.62
▸ POLB P06746 2/20 0.56
▸ PAK1 Q13153 1/20 0.49
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ BCHE P06276 1/20 0.48
▸ ACHE P22303 1/20 0.48
▸ RAB9A P51151 2/20 0.48
▸ NPC1 O15118 1/20 0.48
▸ TERT O14746 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ MAPT P10636 1/20 0.48

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
SCHEMBL10854099 0.93 NME2 (0.61) NME2POLBMEN1KMT2ABCHE
SCHEMBL10852257 0.93 NME2 (0.69) NME2POLBPAK1MEN1KMT2A
SCHEMBL10856046 0.91 NME2 (0.66) NME2MEN1KMT2ABCHEACHE
SCHEMBL10854899 0.90 NME2 (0.71) NME2BCHEACHE
SCHEMBL10854529 0.89 NME2 (0.66) NME2POLBMEN1KMT2ABCHE
SCHEMBL10857147 0.88 NME2 (0.72) NME2BCHEACHE
SCHEMBL10860722 0.88 NME2 (0.57) NME2POLBMEN1KMT2ARAB9A
SCHEMBL10860709 0.88 NME2 (0.57) NME2POLBMEN1KMT2ARAB9A
SCHEMBL10857248 0.87 NME2 (0.55) NME2POLBMEN1KMT2ARAB9A
SCHEMBL10857243 0.87 NME2 (0.55) NME2POLBMEN1KMT2ARAB9A

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
US-4579847-A Amino derivatives of benzylidene-pyrrolo[2,1-b]quinazolines useful for treating conditions of allergic origin FARMITALIA CARLO ERBA S.P.A. (IT) 1986-04-01 — — US disclosed
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