SCHEMBL11200538

SCHEMBL11200538

O=C(CN1CCOCC1)NCCC(Nc1ccccc1)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.57
▸ LMNA P02545 2/20 0.57
▸ ALDH1A1 P00352 7/20 0.56
▸ HTT P42858 2/20 0.55
▸ USP2 O75604 1/20 0.55
▸ GAA P10253 1/20 0.50
▸ CYP2C19 P33261 2/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ TSHR P16473 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ HPGD P15428 1/20 0.47
▸ MAPT P10636 3/20 0.47
▸ POLB P06746 2/20 0.47

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
SCHEMBL11196667 0.92 USP2 (0.50) SMN1; SMN2LMNAALDH1A1HTTUSP2
SCHEMBL11200546 0.92 SMN1; SMN2 (0.52) SMN1; SMN2LMNAALDH1A1HTTUSP2
SCHEMBL11200409 0.90 SMN1; SMN2 (0.49) SMN1; SMN2LMNAALDH1A1HTTUSP2
SCHEMBL11196859 0.90 LMNA (0.49) SMN1; SMN2LMNAALDH1A1HTTUSP2
SCHEMBL11200352 0.89 LMNA (0.59) SMN1; SMN2LMNAALDH1A1CYP2C19MEN1
SCHEMBL11198647 0.87 MEN1 (0.55) SMN1; SMN2LMNAALDH1A1GAACYP2C19
SCHEMBL11193818 0.86 USP2 (0.47) SMN1; SMN2LMNAALDH1A1HTTUSP2
SCHEMBL11201975 0.86 USP2 (0.50) SMN1; SMN2LMNAALDH1A1HTTUSP2
SCHEMBL11205450 0.85 HTT (0.47) SMN1; SMN2LMNAALDH1A1HTTUSP2
SCHEMBL11195599 0.85 KMT2A (0.51) SMN1; SMN2LMNAALDH1A1GAAMEN1

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-4379926-A DIURETICS AYERST, MCKENNA & HARRISON LTD. (CA) 1983-04-12 — — US disclosed
Send feedback