SCHEMBL2557541

SCHEMBL2557541

CC(C)c1ccc(-c2cc(Br)n(C)n2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 2/20 0.40
▸ PHGDH O43175 8/20 0.39
▸ LMNA P02545 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ NFKB1 P19838 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ NFKB2 Q00653 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ RELA Q04206 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ TMEM97 Q5BJF2 1/20 0.38
▸ SIGMAR1 Q99720 1/20 0.38
▸ PPARG P37231 1/20 0.36
▸ PPARD Q03181 1/20 0.36
▸ PPARA Q07869 1/20 0.36
▸ USP2 O75604 1/20 0.36
▸ TP53 P04637 1/20 0.36

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
SCHEMBL31696760 0.84 MAPT (0.47) LMNAKDM4EMEN1NPC1ALDH1A1
SCHEMBL23329066 0.82 TMEM97 (0.44) DHODHPHGDHLMNAKDM4EMEN1
SCHEMBL21927844 0.82 PHGDH (0.42) DHODHPHGDHLMNAKDM4EMEN1
SCHEMBL15823564 0.80 SCN4A (0.44) PHGDHLMNAKDM4EMEN1NPC1
SCHEMBL16347107 0.79 KMT2A (0.48) PHGDHKDM4ENPC1RAB9AKMT2A
SCHEMBL4692313 0.76 PTPN1 (0.56) PHGDHPPARGPPARDPPARAUSP2
SCHEMBL9258776 0.72 KEAP1 (0.66) DHODHLMNAKDM4ENPC1RAB9A
SCHEMBL19203749 0.70 MAPT (0.48) LMNAKDM4EMEN1NPC1RAB9A
SCHEMBL16347029 0.70 NPC1 (0.49) KDM4ENPC1ALDH1A1NFKB1RAB9A
SCHEMBL19209832 0.70 ALDH1A1 (0.32) LMNAKDM4EMEN1NPC1ALDH1A1

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-2558577-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2013-02-20 — — EP disclosed
WO-2011127933-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2011-10-20 — — WO disclosed
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