SCHEMBL9064849

SCHEMBL9064849

Nc1cccc(C(=O)NCCCN2CCCCC2)c1N

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HTR4 Q13639 1/20 0.55
▸ MAPT P10636 1/20 0.50
▸ RECQL P46063 1/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ HPGD P15428 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ SMYD2 Q9NRG4 1/20 0.47
▸ NAMPT P43490 1/20 0.47
▸ KDM4E B2RXH2 2/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ MCHR2 Q969V1 1/20 0.46
▸ MCHR1 Q99705 1/20 0.46
▸ ACHE P22303 1/20 0.46
▸ BACE1 P56817 1/20 0.46
▸ DRD2 P14416 1/20 0.46
▸ DRD4 P21917 1/20 0.46
▸ DRD3 P35462 1/20 0.46

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
SCHEMBL7692996 0.90 HTR4 (0.57) HTR4MAPTRECQLSMYD2NAMPT
SCHEMBL11275539 0.90 HTR4 (0.57) HTR4MAPTRECQLSMYD2NAMPT
SCHEMBL9064298 0.89 MAPT (0.50) MAPTKMT2AKDM4EHSD17B10DRD2
SCHEMBL11276343 0.88 KDM4E (0.56) HTR4MAPTRECQLMEN1HPGD
SCHEMBL11262432 0.85 KDM4E (0.53) HTR4MAPTRECQLL3MBTL1KDM4E
SCHEMBL11277010 0.81 KDM4E (0.61) HTR4MEN1HPGDKMT2AKDM4E
SCHEMBL27985765 0.80 ALDH1A1 (0.62) HTR4MEN1HPGDKMT2AKDM4E
SCHEMBL28919785 0.80 KMT2A (0.59) MEN1KMT2ASMYD2
SCHEMBL8722300 0.80 MEN1 (0.60) MEN1HPGDKMT2A
SCHEMBL10652624 0.78 NAMPT (0.50) MAPTRECQLSMYD2NAMPTMCHR1

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-5514676-A TO INHIBIT THE FORMATION OF ADVANCED GLYCOSLYATION PRODUCTS BY THE NONENZYMATIC CROSSLINKING OF PROTEINS WITH REDUCING SUGARS, USED IN FOOD PRESERVATION AND TO PREVENT PROTEIN AGING IN COLLAGEN OR LENSES IN THE EYE PRESERVATION THE ROCKEFELLER UNIVERSITY (US) 1996-05-07 — — US disclosed
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