SCHEMBL2484060

SCHEMBL2484060

CN(Cc1ccccc1CN1CCOCC1)C(=O)CCCSc1ccc(O)cc1.COc1c(Cl)cc(Cl)cc1CN(C)C(=O)CCCSc1ccc(O)cc1.COc1cc(C)ccc1CN(C)C(=O)CCCSc1ccc(O)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
PDCD1 Q15116 1/20 0.35
CD274 Q9NZQ7 1/20 0.35
LMNA P02545 3/20 0.34
KDM4E B2RXH2 3/20 0.34
MAPT P10636 2/20 0.34
TP53 P04637 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MITF O75030 1/20 0.34
ALOX15 P16050 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
ALDH1A1 P00352 1/20 0.33
HRH3 Q9Y5N1 2/20 0.33
POLB P06746 2/20 0.33
THRB P10828 1/20 0.33

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
SCHEMBL2487603 0.85 CACNA1G (0.32) MEN1KMT2AKDM4EMAPTSMN1; SMN2
SCHEMBL415861 0.81 KDM4E (0.41) KMT2ALMNAKDM4EMAPTSMN1; SMN2
SCHEMBL417261 0.80 THRB (0.36) MEN1KMT2ALMNASMN1; SMN2RAB9A
SCHEMBL416400 0.78 LMNA (0.41) MEN1KMT2ALMNAKDM4EALDH1A1
SCHEMBL413455 0.72 ACHE (0.54) MEN1KMT2ALMNATDP1
SCHEMBL417839 0.71 MEN1 (0.41) MEN1KMT2ALMNAMAPTTP53
SCHEMBL413567 0.70 PKM (0.49) MEN1KMT2ALMNAKDM4EHTT
SCHEMBL418211 0.70 KMT2A (0.44) MEN1KMT2ALMNAKDM4ESMN1; SMN2
SCHEMBL412453 0.70 KDM4E (0.42) KMT2AKDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL414439 0.70 KMT2A (0.49) MEN1KMT2ANPC1RAB9AALDH1A1

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