SCHEMBL28716265

SCHEMBL28716265

COc1ccc(NC(=O)Nc2ncccc2C(=O)NCCCN2CCOCC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.61
▸ LMNA P02545 2/20 0.61
▸ PKM P14618 1/20 0.61
▸ ALDH1A1 P00352 3/20 0.57
▸ MCHR1 Q99705 2/20 0.56
▸ GAA P10253 3/20 0.54
▸ TACR2 P21452 1/20 0.54
▸ BCL3 P20749 1/20 0.54
▸ EPHX2 P34913 1/20 0.53
▸ TDP1 Q9NUW8 1/20 0.53
▸ NAMPT P43490 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ KDM4E B2RXH2 1/20 0.52
▸ TP53 P04637 1/20 0.51
▸ MCHR2 Q969V1 1/20 0.51

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
SCHEMBL28716273 0.90 SMN1; SMN2 (0.66) MAPTLMNAPKMALDH1A1MCHR1
SCHEMBL28701513 0.89 MAPT (0.62) MAPTLMNAPKMALDH1A1MCHR1
SCHEMBL28936808 0.88 LMNA (0.57) MAPTLMNAPKMALDH1A1BCL3
SCHEMBL28936778 0.88 EPHX2 (0.60) MAPTLMNAPKMEPHX2NAMPT
SCHEMBL28716279 0.88 EPHX2 (0.60) MAPTLMNAPKMALDH1A1BCL3
SCHEMBL28720599 0.88 MAPT (0.80) MAPTLMNAPKMALDH1A1TACR2
SCHEMBL28711975 0.86 EPHX2 (0.63) MAPTLMNAPKMTACR2EPHX2
SCHEMBL6109229 0.82 MCHR1 (0.77) MAPTLMNAPKMALDH1A1MCHR1
SCHEMBL28713910 0.81 POLB (0.57) LMNAALDH1A1GAABCL3NAMPT
SCHEMBL6109004 0.79 MCHR1 (0.74) MAPTLMNAPKMALDH1A1MCHR1

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-113979936-A 2-aryl ureido-N- [3- (4-morpholinyl) propyl ] nicotinamide compound and application thereof 沈阳药科大学 2022-01-28 — — CN claimed
CN-113979936-A 2-aryl ureido-N- [3- (4-morpholinyl) propyl ] nicotinamide compound and application thereof 沈阳药科大学 2022-01-28 — — CN disclosed
Send feedback