SCHEMBL12892564

SCHEMBL12892564

CN(C)c1ccc(N(C)CCCC(=O)ON2C(=O)CCC2=O)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP14 P50281 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.35
▸ ALDH1A1 P00352 4/20 0.35
▸ MAPT P10636 4/20 0.35
▸ TSHR P16473 3/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ NPSR1 Q6W5P4 2/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ HDAC1 Q13547 4/20 0.34
▸ HDAC3 O15379 2/20 0.34
▸ HDAC4 P56524 2/20 0.34
▸ HDAC7 Q8WUI4 2/20 0.34
▸ HDAC2 Q92769 2/20 0.34
▸ HDAC10 Q969S8 2/20 0.34
▸ HDAC11 Q96DB2 2/20 0.34
▸ HDAC8 Q9BY41 2/20 0.34
▸ HDAC6 Q9UBN7 2/20 0.34

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
SCHEMBL14586579 0.81 DNM1 (0.36) TSHRSMN1; SMN2KMT2APSMB8PSMB5
SCHEMBL14454737 0.81 CYP2A6 (0.37) ALDH1A1MAPTKMT2ALMNACYP2C19
SCHEMBL12637891 0.79 TDP1 (0.34) SMN1; SMN2KMT2ALMNATP53GFER
SCHEMBL12066114 0.78 HDAC1 (0.44) HSD17B10ALDH1A1MAPTTSHRKMT2A
SCHEMBL20828896 0.77 DNM1 (0.38) SMN1; SMN2KMT2APSMB8PSMB5
Hydrochloric Acid SCHEMBL29517283 0.77 KDM4A (0.49) ALDH1A1MAPTSMN1; SMN2NPSR1KMT2A
SCHEMBL13595614 0.76 DNM1 (0.41) ALDH1A1TSHRSMN1; SMN2KMT2AHPGD
SCHEMBL34383 0.75 SMN1; SMN2 (0.36) TSHRSMN1; SMN2KMT2ALMNAHPGD
SCHEMBL290461 0.75 SMN1; SMN2 (0.40) ALDH1A1SMN1; SMN2KMT2ALMNAHPGD
SCHEMBL22777675 0.75 SMN1; SMN2 (0.36) TSHRSMN1; SMN2KMT2ALMNAHPGD

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
US-7892816-B2 Probe-target binding; redox catalysts; kits COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2011-02-22 — — US disclosed
US-7892816-B2 Probe-target binding; redox catalysts; kits COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2011-02-22 — — US disclosed
US-20080081329-A1 Electrochemical Detection of Substrates NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2008-04-03 — — US disclosed
US-20080081329-A1 Electrochemical Detection of Substrates NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2008-04-03 — — US disclosed
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