SCHEMBL4436734

SCHEMBL4436734

O=C1C(I)CC(c2cccc(C(F)(F)F)c2)N1c1ccc(S(=O)(=O)c2ccc(Cl)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CETP P11597 2/20 0.39
KDM1A O60341 1/20 0.38
CNR2 P34972 1/20 0.35
PSEN1 P49768 2/20 0.35
PSEN2 P49810 2/20 0.35
APH1B Q8WW43 2/20 0.35
NCSTN Q92542 2/20 0.35
APH1A Q96BI3 2/20 0.35
PSENEN Q9NZ42 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NAMPT P43490 1/20 0.35

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
SCHEMBL3592021 0.82 HDAC1 (0.42) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL3592019 0.82 HDAC1 (0.42) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL4747985 0.77 CA1 (0.61) KMT2ACA1CA2CA9
SCHEMBL4438981 0.73 ALDH1A1 (0.46) MEN1KMT2AHTT
SCHEMBL15181797 0.73 HTT (0.39) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL3590822 0.73 MEN1 (0.46) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL3590816 0.73 MEN1 (0.46) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL3585646 0.72 HTT (0.37) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL4437675 0.72 HTT (0.37) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL3586449 0.72 HTT (0.37) MEN1KMT2ACYP1A2CYP3A4CYP2D6

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-2121598-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2009-11-25 EP claimed
WO-2008076754-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2008-06-26 WO claimed