SCHEMBL1856178

SCHEMBL1856178

CCCCCCCCCCCCOc1ccc(CN(CC)Cc2ccc(C(F)(F)F)cc2)c2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
SLC2A1 P11166 1/20 0.40
THRA P10827 1/20 0.40
THRB P10828 1/20 0.40
PPARG P37231 1/20 0.39
PPARD Q03181 1/20 0.39
PPARA Q07869 1/20 0.39
HTR1D P28221 1/20 0.39
HTR1B P28222 1/20 0.39
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39

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
SCHEMBL6717531 0.85 ACHE (0.44) MEN1HTTKMT2ASLC2A1THRA
SCHEMBL1855967 0.82 SLC2A1 (0.43) MEN1HTTKMT2ASLC2A1THRA
SCHEMBL4319082 0.82 PPARG (0.43) MEN1HTTKMT2ASLC2A1THRA
SCHEMBL1853877 0.81 SLC2A1 (0.55) MEN1HTTKMT2ASLC2A1THRA
SCHEMBL1856733 0.80 THRA (0.41) MEN1HTTKMT2ASLC2A1THRA
SCHEMBL1856177 0.79 SLC2A1 (0.40) MEN1HTTKMT2ASLC2A1THRA
SCHEMBL6824407 0.78 CYP3A4 (0.35)
SCHEMBL1852603 0.78 CYP3A4 (0.35)
SCHEMBL1857833 0.78 TSHR (0.39) KMT2A
SCHEMBL5047584 0.75 MEN1 (0.42) MEN1HTTKMT2ASLC2A1THRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1470102-B1 SUBSTITUTED METHYLENE AMIDE DERIVATIVES AS MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) MERCK SERONO SA (CH) 2011-05-25 EP disclosed
EP-1470102-A1 SUBSTITUTED METHYLENE AMIDE DERIVATIVES AS MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) Applied Research Systems ARS Holding N.V. (AN) 2004-10-27 EP disclosed
WO-2003064376-A1 SUBSTITUTED METHYLENE AMIDE DERIVATIVES AS MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2003-08-07 WO disclosed