SCHEMBL10833432

SCHEMBL10833432

O=C(NCCCn1ccnc1)Nc1ccccc1Br

nearest known ligand 0.72

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.72
▸ KDM4E B2RXH2 1/20 0.72
▸ LMNA P02545 1/20 0.62
▸ MAPT P10636 1/20 0.62
▸ CYP1A2 P05177 1/20 0.62
▸ CYP3A4 P08684 1/20 0.62
▸ CYP2D6 P10635 1/20 0.62
▸ CYP2C9 P11712 1/20 0.62
▸ CYP2C19 P33261 1/20 0.62
▸ ALDH1A1 P00352 1/20 0.59
▸ ALOX15 P16050 1/20 0.58
▸ HSD17B10 Q99714 1/20 0.58
▸ SMN1; SMN2 Q16637 2/20 0.56
▸ QPCT Q16769 3/20 0.55
▸ NPC1 O15118 1/20 0.54
▸ GAA P10253 1/20 0.53

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 0.86 LMNA (0.76) L3MBTL1KDM4ELMNAMAPTCYP1A2
SCHEMBL10832623 0.86 L3MBTL1 (0.72) L3MBTL1KDM4ELMNAMAPTCYP1A2
SCHEMBL1775043 0.83 CYP1A2 (0.79) L3MBTL1KDM4ELMNAMAPTCYP1A2
SCHEMBL10831908 0.82 LMNA (0.71) L3MBTL1KDM4ELMNAMAPTCYP1A2
SCHEMBL10833094 0.81 CYP1A2 (0.77) L3MBTL1KDM4ELMNAMAPTCYP1A2
SCHEMBL18544251 0.79 L3MBTL1 (0.69) L3MBTL1KDM4ELMNAMAPTCYP1A2
SCHEMBL18317579 0.77 L3MBTL1 (0.68) L3MBTL1KDM4ELMNAMAPTCYP1A2
SCHEMBL10832419 0.77 CYP1A2 (0.77) L3MBTL1KDM4ELMNAMAPTCYP1A2
SCHEMBL17117196 0.77 SMN1; SMN2 (0.70) L3MBTL1KDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL10832667 0.77 CYP1A2 (1.00) L3MBTL1KDM4ELMNAMAPTCYP1A2

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 claimed
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