SCHEMBL28936778

SCHEMBL28936778

O=C(Nc1ccc(Cl)cc1)Nc1ncccc1C(=O)NCCCN1CCOCC1

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 6/20 0.60
▸ MAPT P10636 2/20 0.57
▸ LMNA P02545 1/20 0.57
▸ PKM P14618 1/20 0.57
▸ SMN1; SMN2 Q16637 2/20 0.57
▸ CNR1 P21554 1/20 0.57
▸ NAMPT P43490 1/20 0.55

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
SCHEMBL28701513 0.92 MAPT (0.62) EPHX2MAPTLMNAPKMSMN1; SMN2
SCHEMBL28716273 0.91 SMN1; SMN2 (0.66) EPHX2MAPTLMNAPKMSMN1; SMN2
SCHEMBL28936808 0.91 LMNA (0.57) EPHX2MAPTLMNAPKMSMN1; SMN2
SCHEMBL28716279 0.91 EPHX2 (0.60) EPHX2MAPTLMNAPKMSMN1; SMN2
SCHEMBL28716265 0.88 MAPT (0.61) EPHX2MAPTLMNAPKMSMN1; SMN2
SCHEMBL28711975 0.88 EPHX2 (0.63) EPHX2MAPTLMNAPKMNAMPT
SCHEMBL28720599 0.85 MAPT (0.80) EPHX2MAPTLMNAPKM
SCHEMBL28713910 0.83 POLB (0.57) LMNASMN1; SMN2NAMPT
SCHEMBL30417063 0.81 SMN1; SMN2 (0.85) EPHX2MAPTLMNASMN1; SMN2CNR1
SCHEMBL6108922 0.78 MCHR1 (0.73) EPHX2LMNASMN1; SMN2CNR1

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
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