SCHEMBL12694261

SCHEMBL12694261

C#Cc1ccc(CN(CCO)Cc2ccc(C#C)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.46
▸ KMT2A Q03164 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ NPSR1 Q6W5P4 2/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ PYCR1 P32322 2/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ LMNA P02545 1/20 0.39
▸ HRH3 Q9Y5N1 1/20 0.38
▸ ACHE P22303 1/20 0.37
▸ POLB P06746 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ HDAC1 Q13547 1/20 0.35
▸ MAPT P10636 2/20 0.35
▸ MAPK1 P28482 2/20 0.35
▸ HPGD P15428 1/20 0.35

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
SCHEMBL12694295 0.82 PYCR1 (0.40) KMT2ANPSR1PYCR1ALDH1A1HRH3
SCHEMBL13888904 0.79 HTT (0.53) HTTKMT2AMEN1NPSR1CYP1A2
SCHEMBL6263660 0.77 LOXL2 (0.45) HTTKMT2AMEN1NPSR1CYP1A2
SCHEMBL16328931 0.77 MEN1 (0.43) KMT2AMEN1PYCR1HRH3
SCHEMBL578620 0.76 HRH3 (0.59) PYCR1HRH3
SCHEMBL121914 0.74 PYCR1 (0.40) PYCR1HRH3
SCHEMBL11978605 0.74 HRH3 (0.41) PYCR1HRH3
SCHEMBL21216115 0.74 SIGMAR1 (0.42) KMT2AMEN1HRH3KDM4EHSD17B10
SCHEMBL18546022 0.74 HTT (0.69) HTTKMT2AMEN1ALDH1A1LMNA
SCHEMBL13879972 0.74 HRH3 (0.69) HTTNPSR1CYP1A2CYP2D6CYP2C9

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1807436-B1 HETEROBIFUNCTIONAL POLY(ETHYLENE GLYCOL) AND USES THEREOF INTEZYNE TECHNOLOGIES INC (US) 2014-06-18 — — EP disclosed
EP-2502941-A1 Heterobifunctional poly (ethylene glycol) and uses thereof Intezyne Technologies Inc. (US) 2012-09-26 — — EP disclosed
US-7612153-B2 conjugate polymer drugs; endcapped polyethers; nontoxic, biocompatible, non-immunogenic, soluble in water and other solvents INTEZYNE TECHNOLOGIES, INC. (US) 2009-11-03 — — US disclosed
US-7612153-B2 conjugate polymer drugs; endcapped polyethers; nontoxic, biocompatible, non-immunogenic, soluble in water and other solvents INTEZYNE TECHNOLOGIES, INC. (US) 2009-11-03 — — US disclosed
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