SCHEMBL2484875

SCHEMBL2484875

CCN(Cc1ccccc1OC)C(=O)CCCSc1ccc(O)cc1.COCc1ccccc1CN(C)C(=O)CCCSc1ccc(O)cc1.COc1c(F)cccc1CN(C)C(=O)CCCSc1ccc(O)cc1.COc1ccccc1CN(CC1CC1)C(=O)CCCSc1ccc(O)cc1.COc1ccccc1CN(CCN1CCOCC1)C(=O)CCCSc1ccc(O)cc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.41
MAPK1 P28482 1/20 0.35
LMNA P02545 2/20 0.34
ALDH1A1 P00352 3/20 0.34
MEN1 O00255 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
BCL3 P20749 1/20 0.33
ACHE P22303 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL413567 0.80 PKM (0.49) PKMLMNAALDH1A1MEN1HTT
SCHEMBL417767 0.75 ACHE (0.47) LMNAALDH1A1MEN1KMT2AACHE
SCHEMBL2485314 0.74
SCHEMBL417604 0.73 TDP1 (0.38) LMNAALDH1A1MEN1KMT2AACHE
SCHEMBL415376 0.71 ACHE (0.51) MAPK1LMNAMEN1KMT2AACHE
SCHEMBL413455 0.70 ACHE (0.54) LMNAMEN1KMT2AACHE
SCHEMBL415861 0.69 KDM4E (0.41) MAPK1LMNAHTTKMT2AKDM4E
SCHEMBL414439 0.69 KMT2A (0.49) ALDH1A1MEN1KMT2AACHE
SCHEMBL414368 0.69 ALDH1A1 (0.40) LMNAALDH1A1MEN1KMT2AACHE
SCHEMBL412453 0.68 KDM4E (0.42) ALDH1A1KMT2AKDM4ESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2376431-A1 NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS LABORATOIRE BIODIM (FR) 2011-10-19 EP disclosed
WO-2010066847-A1 NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS CELLVIR (FR) 2010-06-17 WO disclosed