SCHEMBL10465161

SCHEMBL10465161

COc1ccc(N2CCN(c3ccc(NC(=S)NCC(OC)OC)cc3)CC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.58
MAPT P10636 6/20 0.58
LMNA P02545 5/20 0.58
GAA P10253 4/20 0.58
MAPK1 P28482 2/20 0.58
ALOX12 P18054 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
SMN1; SMN2 Q16637 6/20 0.58
KMT2A Q03164 3/20 0.54
MEN1 O00255 2/20 0.54
KDM4E B2RXH2 1/20 0.51
POLB P06746 1/20 0.51
GFER P55789 1/20 0.50

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
SCHEMBL9621783 0.88 ALDH1A1 (0.64) ALDH1A1MAPTLMNAGAAALOX12
SCHEMBL11066751 0.85 POLB (0.49) ALDH1A1MAPTLMNAGAAMAPK1
SCHEMBL8931659 0.85 KMT2A (0.65) ALDH1A1MAPTLMNAMAPK1SMN1; SMN2
SCHEMBL9386726 0.79 KMT2A (0.71) ALDH1A1MAPTLMNAGAAMAPK1
SCHEMBL10498571 0.79 LMNA (0.53) ALDH1A1MAPTLMNAGAASMN1; SMN2
SCHEMBL10463818 0.78 MAPT (0.56) ALDH1A1MAPTLMNAGAAMAPK1
SCHEMBL10498859 0.77 LMNA (0.51) ALDH1A1MAPTLMNAGAAMAPK1
SCHEMBL10499478 0.77 LMNA (0.51) ALDH1A1MAPTLMNAGAAMAPK1
SCHEMBL9382061 0.76 KMT2A (0.66) ALDH1A1MAPTLMNAGAAL3MBTL1
SCHEMBL11089709 0.75 LMNA (0.49) ALDH1A1MAPTLMNAMAPK1ALOX12

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-4931444-A FOR LEUKOTRIENE-MEDIATED DISEASES AND DISORDERS JANSSEN PHARMACEUTICA N.V. (BE) 1990-06-05 US disclosed