SCHEMBL7045904

SCHEMBL7045904

O=C(O)c1cc(O)c(I)c(OCc2ccccc2)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
MRGPRX4 Q96LA9 5/20 0.50
HPGD P15428 3/20 0.50
NR4A2 P43354 2/20 0.50
LMNA P02545 1/20 0.50
NR4A1 P22736 1/20 0.50
NR4A3 Q92570 1/20 0.50
PTGER1 P34995 2/20 0.48
MCL1 Q07820 1/20 0.48
NPC1 O15118 1/20 0.48
MITF O75030 1/20 0.48
TP53 P04637 1/20 0.48
XBP1 P17861 1/20 0.48
NFKB1 P19838 1/20 0.48
RAB9A P51151 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
RXRA P19793 3/20 0.48

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
SCHEMBL17966385 0.91 MEN1 (0.63) MEN1KMT2AMRGPRX4HPGDNR4A2
SCHEMBL30307916 0.86 MEN1 (0.61) MEN1KMT2AMRGPRX4HPGDNR4A2
SCHEMBL4876543 0.86 MEN1 (0.61) MEN1KMT2AMRGPRX4HPGDNR4A2
SCHEMBL6865198 0.86 HPGD (0.71) MEN1KMT2AMRGPRX4HPGDLMNA
SCHEMBL16616383 0.84 HPGD (0.53) MRGPRX4HPGDLMNANPC1RAB9A
SCHEMBL27527174 0.83 MEN1 (0.54) MEN1KMT2AMRGPRX4HPGDNR4A2
SCHEMBL13117262 0.81 CYP1A2 (0.53) MEN1KMT2ANR4A2LMNAMCL1
SCHEMBL2227072 0.81 LMNA (0.56) MEN1KMT2AMRGPRX4HPGDNR4A2
SCHEMBL3965806 0.80 EGFR (0.64) MEN1KMT2AMRGPRX4HPGDNR4A2
SCHEMBL3960943 0.80 NR4A2 (0.58) MEN1KMT2AMRGPRX4HPGDNR4A2

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-6821980-B1 Substituted 5-benzyl-2,4-diaminopyrimidines BASILEA PHARMACEUTICA AG (CH) 2004-11-23 US disclosed