SCHEMBL8701713

SCHEMBL8701713

c1nnc(CCN2CCCCC2)s1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.51
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 3/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HRH3 Q9Y5N1 5/20 0.42
SIGMAR1 Q99720 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 1/20 0.39
SLC6A3 Q01959 1/20 0.39
MBTD1 Q05BQ5 1/20 0.38
L3MBTL3 Q96JM7 1/20 0.38

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
SCHEMBL8701885 0.83 ALDH1A1 (0.42) L3MBTL1MEN1KMT2ASIGMAR1SMN1; SMN2
SCHEMBL8703579 0.71 ALOX15 (0.45) HRH3SMN1; SMN2ALDH1A1
SCHEMBL11907724 0.69 L3MBTL1 (0.67) L3MBTL1CYP1A2CYP3A4CYP2D6MEN1
SCHEMBL11925520 0.68 L3MBTL1 (1.00) L3MBTL1CYP2D6MEN1KMT2ASMN1; SMN2
SCHEMBL7312043 0.68 L3MBTL1 (0.51) L3MBTL1CYP1A2CYP3A4CYP2D6MEN1
SCHEMBL11908467 0.66 L3MBTL1 (0.96) L3MBTL1CYP2D6MEN1KMT2ASMN1; SMN2
SCHEMBL11499173 0.64 ALDH1A1 (0.47) ALDH1A1
SCHEMBL9279775 0.62 HRH3 (0.54) L3MBTL1CYP1A2CYP3A4MEN1KMT2A
SCHEMBL4247408 0.61 CYP1A2 (0.43) L3MBTL1CYP1A2CYP3A4CYP2D6HRH3
SCHEMBL1854770 0.61 CYP1A2 (0.43) L3MBTL1CYP1A2CYP3A4HRH3SIGMAR1

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-5773456-A EMPHYSEMA, RHEUMATOID ARTHRITIS AND PANCREATITIS SANOFI (FR) 1998-06-30 US disclosed