SCHEMBL11478959

SCHEMBL11478959

NOCC(O)CN1CCN(CCO)CC1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.50
▸ KDM4E B2RXH2 2/20 0.49
▸ KMT2A Q03164 3/20 0.49
▸ HTT P42858 2/20 0.49
▸ LMNA P02545 1/20 0.49
▸ TP53 P04637 1/20 0.48
▸ ADRB2 P07550 1/20 0.46
▸ MEN1 O00255 2/20 0.44
▸ RAD52 P43351 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ GLA P06280 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
SCHEMBL10861144 0.83 KDM4E (0.60) ALDH1A1KDM4EKMT2AHTTLMNA
SCHEMBL21469813 0.81 TP53 (0.55) ALDH1A1KDM4EKMT2AHTTLMNA
SCHEMBL14538079 0.80 KMT2A (0.60) KDM4EKMT2AHTTMEN1SMN1; SMN2
SCHEMBL15296753 0.79 SMN1; SMN2 (0.61) ALDH1A1KDM4EKMT2AHTTLMNA
SCHEMBL11480838 0.79 MEN1 (0.64) ALDH1A1KDM4EKMT2AMEN1SMN1; SMN2
SCHEMBL3060825 0.79 MEN1 (0.64) ALDH1A1KDM4EKMT2AMEN1SMN1; SMN2
SCHEMBL1361162 0.78 MAPT (0.64) ALDH1A1KDM4EKMT2AHTTLMNA
SCHEMBL21537500 0.77 ALDH1A1 (0.47) ALDH1A1KDM4EKMT2AHTTLMNA
Hydrochloric Acid SCHEMBL29215641 0.77 KMT2A (0.61) ALDH1A1KDM4EKMT2AHTTMEN1
SCHEMBL12227800 0.76 ALDH1A1 (0.46) ALDH1A1KDM4EKMT2AHTTLMNA

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-4235899-A ANTIPROTOZOA AGENTS ESPECIALLY AGAINST TRICHOMONAS HOECHST AKTIENGESELLSCHAFT (DE) 1980-11-25 — — US disclosed
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