SCHEMBL11200546

SCHEMBL11200546

O=C(CN1CCOCC1)NCCC(Nc1ccccc1)c1ccc(Br)cc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.52
▸ LMNA P02545 2/20 0.52
▸ ALDH1A1 P00352 7/20 0.51
▸ HTT P42858 2/20 0.50
▸ USP2 O75604 1/20 0.50
▸ KMT2A Q03164 2/20 0.47
▸ HPGD P15428 2/20 0.46
▸ GLA P06280 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ HSP90AA1 P07900 1/20 0.44
▸ NTSR1 P30989 1/20 0.44
▸ TSHR P16473 2/20 0.44
▸ CYP2C19 P33261 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ POLB P06746 1/20 0.42

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
SCHEMBL11200538 0.92 SMN1; SMN2 (0.57) SMN1; SMN2LMNAALDH1A1HTTUSP2
SCHEMBL11197946 0.89 NPC1 (0.48) SMN1; SMN2LMNAALDH1A1HTTKMT2A
SCHEMBL11196667 0.85 USP2 (0.50) SMN1; SMN2LMNAALDH1A1HTTUSP2
SCHEMBL11200409 0.83 SMN1; SMN2 (0.49) SMN1; SMN2LMNAALDH1A1HTTUSP2
SCHEMBL11196859 0.83 LMNA (0.49) SMN1; SMN2LMNAALDH1A1HTTUSP2
SCHEMBL11195599 0.82 KMT2A (0.51) SMN1; SMN2LMNAALDH1A1KMT2AHPGD
SCHEMBL11200352 0.82 LMNA (0.59) SMN1; SMN2LMNAALDH1A1KMT2AHPGD
SCHEMBL11198647 0.80 MEN1 (0.55) SMN1; SMN2LMNAALDH1A1KMT2AHPGD
SCHEMBL11193818 0.80 USP2 (0.47) SMN1; SMN2LMNAALDH1A1HTTUSP2
SCHEMBL11200327 0.80 CNR1 (0.50) SMN1; SMN2LMNAALDH1A1HTTKMT2A

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
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