SCHEMBL10831908

SCHEMBL10831908

O=C(NCCCCn1ccnc1)Nc1ccccc1Cl

nearest known ligand 0.71

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.71
▸ MAPT P10636 1/20 0.71
▸ L3MBTL1 Q9Y468 2/20 0.67
▸ KDM4E B2RXH2 1/20 0.67
▸ ALDH1A1 P00352 2/20 0.64
▸ CYP1A2 P05177 1/20 0.64
▸ CYP3A4 P08684 1/20 0.64
▸ CYP2D6 P10635 1/20 0.64
▸ CYP2C9 P11712 1/20 0.64
▸ CYP2C19 P33261 1/20 0.64
▸ ALOX15 P16050 1/20 0.64
▸ HSD17B10 Q99714 1/20 0.64
▸ SMN1; SMN2 Q16637 1/20 0.55
▸ MEN1 O00255 1/20 0.55
▸ KMT2A Q03164 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
SCHEMBL10833053 0.96 LMNA (0.76) LMNAMAPTL3MBTL1KDM4EALDH1A1
SCHEMBL10832623 0.82 L3MBTL1 (0.72) LMNAMAPTL3MBTL1KDM4EALDH1A1
SCHEMBL10833432 0.82 L3MBTL1 (0.72) LMNAMAPTL3MBTL1KDM4EALDH1A1
SCHEMBL10833298 0.82 CYP1A2 (0.93) LMNAMAPTL3MBTL1ALDH1A1CYP1A2
SCHEMBL10832177 0.81 CYP1A2 (0.91) LMNAMAPTL3MBTL1ALDH1A1CYP1A2
SCHEMBL1775043 0.79 CYP1A2 (0.79) LMNAMAPTL3MBTL1KDM4EALDH1A1
SCHEMBL14419774 0.79 ALDH1A1 (0.69) LMNAMAPTL3MBTL1KDM4EALDH1A1
SCHEMBL10831942 0.78 ALDH1A1 (1.00) LMNAMAPTL3MBTL1KDM4EALDH1A1
SCHEMBL10832667 0.78 CYP1A2 (1.00) LMNAMAPTL3MBTL1KDM4EALDH1A1
SCHEMBL10832956 0.78 ALOX15 (1.00) LMNAMAPTL3MBTL1KDM4EALDH1A1

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-4576957-A HYPOTENSIVE AMERICAN CYANAMID COMPANY (US) 1986-03-18 — — US disclosed
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