SCHEMBL27995490

SCHEMBL27995490

NC(=O)c1cccc(-c2nc(N3CCOCC3)c3ccccc3n2)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.66
▸ MAPK1 P28482 3/20 0.66
▸ MEN1 O00255 1/20 0.66
▸ KMT2A Q03164 1/20 0.66
▸ CYP1A2 P05177 4/20 0.62
▸ TSHR P16473 4/20 0.62
▸ CYP3A4 P08684 3/20 0.62
▸ LMNA P02545 2/20 0.62
▸ RECQL P46063 1/20 0.62
▸ HTT P42858 2/20 0.61
▸ ALOX15 P16050 3/20 0.61
▸ CYP2C19 P33261 2/20 0.61
▸ TP53 P04637 1/20 0.61
▸ HSD17B10 Q99714 1/20 0.61
▸ SMN1; SMN2 Q16637 1/20 0.60
▸ LRRK2 Q5S007 2/20 0.60
▸ USP2 O75604 2/20 0.58
▸ CLK4 Q9HAZ1 2/20 0.58
▸ PIK3CA P42336 2/20 0.58
▸ GBA1 P04062 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
SCHEMBL3748887 0.83 HTT (0.84) ALDH1A1MAPK1MEN1KMT2ACYP1A2
SCHEMBL4059724 0.77 MTOR (0.49) LRRK2PIK3CAPIK3CDPIK3R1PIK3CB
SCHEMBL2907994 0.77 MTOR (0.54) LRRK2PIK3CAPIK3CDPIK3CGSTK4
SCHEMBL4090305 0.77 HTT (0.66) ALDH1A1MAPK1MEN1KMT2ACYP1A2
SCHEMBL1083870 0.77 LMNA (0.66) ALDH1A1MAPK1MEN1KMT2ACYP1A2
SCHEMBL1083989 0.75 HTT (0.74) ALDH1A1MAPK1MEN1KMT2ACYP1A2
SCHEMBL1083793 0.75 HTT (0.74) ALDH1A1MAPK1MEN1KMT2ACYP1A2
SCHEMBL13342122 0.75 HTT (0.74) ALDH1A1MAPK1CYP1A2TSHRCYP3A4
SCHEMBL258434 0.74 PIK3CA (1.00) ALDH1A1MAPK1MEN1KMT2ACYP1A2
SCHEMBL19445385 0.74 PIK3CA (0.68) CLK4PIK3CAPIK3CDPIK3R1PIK3CB

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
CN-104311494-A m-(4-morpholinyl-2-quinazolinyl) benzamide compounds and synthetic method and application thereof UNIV XI AN JIAOTONG 2015-01-28 — — CN disclosed
CN-104311494-A m-(4-morpholinyl-2-quinazolinyl) benzamide compounds and synthetic method and application thereof UNIV XI AN JIAOTONG 2015-01-28 — — CN disclosed
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