SCHEMBL9877823

SCHEMBL9877823

CCCCCCC1CN(S(=O)(=O)c2ccc(C)cc2)CCN(S(=O)(=O)c2ccc(C)cc2)CCN(S(=O)(=O)c2ccc(C)cc2)CCN1S(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.55
ALDH1A1 P00352 5/20 0.55
LMNA P02545 2/20 0.55
PKM P14618 3/20 0.49
HTT P42858 2/20 0.49
POLB P06746 1/20 0.49
GAA P10253 1/20 0.48
TP53 P04637 1/20 0.46
TSHR P16473 1/20 0.46
MEN1 O00255 4/20 0.46
NPSR1 Q6W5P4 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
MDM2 Q00987 1/20 0.44

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
SCHEMBL6526840 0.98 ALDH1A1 (0.57) KMT2AALDH1A1LMNAPKMHTT
SCHEMBL28466754 0.86 ALDH1A1 (0.44) KMT2AALDH1A1LMNAPKMPOLB
SCHEMBL8472978 0.86 ALDH1A1 (0.44) KMT2AALDH1A1LMNAPKMPOLB
SCHEMBL6081707 0.86 ALDH1A1 (0.44) KMT2AALDH1A1LMNAPKMPOLB
SCHEMBL9485554 0.81 KMT2A (0.60) KMT2AALDH1A1LMNAPKMHTT
SCHEMBL2600496 0.81 ALDH1A1 (0.46) KMT2AALDH1A1LMNAPKMHTT
SCHEMBL8205234 0.80 KMT2A (0.56) KMT2AALDH1A1LMNAPKMHTT
SCHEMBL5556846 0.79 GAA (0.52) KMT2AALDH1A1LMNAPKMHTT
SCHEMBL8192516 0.77 GAA (0.55) KMT2AALDH1A1LMNAPKMHTT
SCHEMBL9273582 0.75 ALDH1A1 (0.54) KMT2AALDH1A1LMNAPKMHTT

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-5049667-A Nitrogen-containing cyclic ligands GUERBET S.A. (FR) 1991-09-17 US disclosed