SCHEMBL20530712

SCHEMBL20530712

O=C(O)[C@H](Cc1ccccc1)N1COc2c(ccc3cccnc23)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.41
MAPT P10636 6/20 0.39
NPSR1 Q6W5P4 2/20 0.39
GAA P10253 2/20 0.39
ITGB3 P05106 1/20 0.39
ITGAV P06756 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
ALOX15 P16050 1/20 0.38
ALDH1A1 P00352 1/20 0.38
PKM P14618 1/20 0.38
EGLN1 Q9GZT9 3/20 0.37
HSD17B10 Q99714 2/20 0.37
HDAC8 Q9BY41 4/20 0.37
KDM4E B2RXH2 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
PTPN7 P35236 1/20 0.36

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
SCHEMBL20530713 1.00 LMNA (0.41) LMNAMAPTNPSR1GAAITGB3
SCHEMBL20530728 0.73 CYP1A2 (0.46) LMNAMAPTGAASMN1; SMN2EGLN1
SCHEMBL24064896 0.71 LMNA (0.57) LMNAMAPTNPSR1GAASMN1; SMN2
SCHEMBL10311138 0.70 ALDH1A1 (0.45) LMNAMAPTSMN1; SMN2ALOX15ALDH1A1
SCHEMBL6006397 0.70 LMNA (0.62) LMNAMAPTNPSR1GAASMN1; SMN2
SCHEMBL10044970 0.68 LMNA (0.42) LMNAMAPTGAASMN1; SMN2ALOX15
SCHEMBL10311139 0.66 KDM4E (0.39) LMNAMAPTGAASMN1; SMN2ALOX15
SCHEMBL20530691 0.65 SMN1; SMN2 (0.40) MAPTGAASMN1; SMN2ALDH1A1EGLN1
SCHEMBL20530696 0.65 MEN1 (0.41) LMNAMAPTSMN1; SMN2ALOX15ALDH1A1
SCHEMBL20530689 0.65 MEN1 (0.41) LMNAMAPTSMN1; SMN2ALOX15ALDH1A1

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
EP-3388419-A1 GLI1 INHIBITORS AND USES THEREOF Leadiant Biosciences SA (CH) 2018-10-17 EP claimed
EP-3388419-A1 GLI1 INHIBITORS AND USES THEREOF Leadiant Biosciences SA (CH) 2018-10-17 EP disclosed