SCHEMBL8079751

SCHEMBL8079751

O=C1c2ccccc2C(=O)N1CCCCc1csc(-c2ccccn2)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
L3MBTL1 Q9Y468 4/20 0.54
ALDH1A1 P00352 3/20 0.54
HPGD P15428 1/20 0.54
PKM P14618 2/20 0.51
RXFP1 Q9HBX9 1/20 0.51
POLB P06746 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
HSD17B10 Q99714 2/20 0.50
MAPT P10636 1/20 0.50
CYP1A2 P05177 2/20 0.47
CYP2C9 P11712 2/20 0.47
KDM4E B2RXH2 1/20 0.47
CYP3A4 P08684 1/20 0.47
HTR1A P08908 2/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL23027794 0.92 LMNA (0.65) LMNASMN1; SMN2L3MBTL1ALDH1A1HPGD
SCHEMBL23027798 0.78 LMNA (0.78) LMNASMN1; SMN2L3MBTL1ALDH1A1HPGD
SCHEMBL8656611 0.77 PDE10A (0.51) LMNASMN1; SMN2L3MBTL1ALDH1A1PKM
SCHEMBL1205231 0.77 PDE10A (0.55) LMNASMN1; SMN2ALDH1A1PKMHSD17B10
SCHEMBL8091093 0.77 HRH1 (0.54) LMNASMN1; SMN2L3MBTL1ALDH1A1PKM
SCHEMBL29263618 0.77 HSD17B10 (0.77) LMNAL3MBTL1ALDH1A1PKMMEN1
SCHEMBL28261467 0.76 HSD17B10 (0.55) LMNASMN1; SMN2L3MBTL1ALDH1A1PKM
SCHEMBL27526928 0.76 PDE10A (0.53) LMNASMN1; SMN2L3MBTL1ALDH1A1PKM
SCHEMBL7949941 0.76 TDP1 (0.56) L3MBTL1HSD17B10CYP1A2CYP2C9KDM4E
SCHEMBL8091016 0.75 HSD17B10 (0.42) LMNASMN1; SMN2L3MBTL1ALDH1A1HPGD

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
US-6100404-A Erythromycin compounds HOECHST MARION ROUSSEL (FR) 2000-08-08 US disclosed
US-5635485-A Erythromycin compounds ROUSSEL UCLAF (FR) 1997-06-03 US disclosed