SCHEMBL7848872

SCHEMBL7848872

N=C(NC1CCN(Cc2ccccc2)CC1)NS(=O)(=O)c1ccc2c(c1)CCN(C(=O)C(F)(F)F)CC2

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
MEN1 O00255 1/20 0.49
PKM P14618 1/20 0.49
LMNA P02545 2/20 0.46
SIGMAR1 Q99720 8/20 0.44
CCR3 P51677 1/20 0.44
PDK1 Q15118 1/20 0.44
PDK2 Q15119 1/20 0.44
PDK3 Q15120 1/20 0.44
PDK4 Q16654 1/20 0.44
ALDH1A1 P00352 1/20 0.44
UBE2M P61081 1/20 0.43
DCUN1D1 Q96GG9 1/20 0.43
DPP7 Q9UHL4 1/20 0.43
HTT P42858 1/20 0.42

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
SCHEMBL7848948 0.92 CCR3 (0.54) KMT2ASMN1; SMN2MEN1PKMLMNA
SCHEMBL7855189 0.90 KMT2A (0.54) KMT2ASMN1; SMN2MEN1PKMLMNA
SCHEMBL7848867 0.84 KMT2A (0.51) KMT2ASMN1; SMN2MEN1PKMLMNA
SCHEMBL7848854 0.83 HDAC3 (0.57) KMT2ASMN1; SMN2MEN1PKMLMNA
SCHEMBL7847020 0.82 KMT2A (0.49) KMT2ASMN1; SMN2MEN1PKMLMNA
SCHEMBL7848873 0.81 CCR3 (0.59) KMT2ASMN1; SMN2MEN1PKMLMNA
SCHEMBL6802404 0.79 SMN1; SMN2 (0.56) KMT2ASMN1; SMN2MEN1LMNAALDH1A1
SCHEMBL7849483 0.73 HDAC3 (0.56) KMT2ASMN1; SMN2MEN1PKMLMNA
Hydrochloric Acid SCHEMBL7551006 0.72 LMNA (0.45) KMT2ASMN1; SMN2MEN1PKMLMNA
Hydrochloric Acid SCHEMBL8123446 0.72 LMNA (0.45) KMT2ASMN1; SMN2MEN1PKMLMNA

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
EP-1122252-A1 NITROGENOUS FUSED HETEROCYCLE COMPOUNDS, PROCESS FOR THE PREPARATION THEREOF AND AGENTS CONTAINING THE SAME Takeda Chemical Industries, Ltd. (JP) 2001-08-08 EP disclosed