SCHEMBL5821606

SCHEMBL5821606

OC1CNCC1N1CCC(c2nc3ccccc3s2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.56
MEN1 O00255 2/20 0.56
UBE2M P61081 9/20 0.52
DCUN1D1 Q96GG9 9/20 0.52
TP53 P04637 3/20 0.52
GAA P10253 3/20 0.52
ALDH1A1 P00352 6/20 0.51
LMNA P02545 6/20 0.49
POLB P06746 1/20 0.49
MAPK1 P28482 1/20 0.49
TSHR P16473 1/20 0.49
HTT P42858 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
HSD17B10 Q99714 1/20 0.49
SMN1; SMN2 Q16637 4/20 0.48
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
MAPT P10636 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47

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
SCHEMBL5821603 1.00 KMT2A (0.56) KMT2AMEN1UBE2MDCUN1D1TP53
Trifluoroacetic Acid SCHEMBL6072199 0.91 UBE2M (0.49) KMT2AMEN1UBE2MDCUN1D1TP53
SCHEMBL7704275 0.76 KMT2A (0.67) KMT2AMEN1UBE2MDCUN1D1TP53
SCHEMBL10217236 0.76 KMT2A (0.71) KMT2AMEN1UBE2MDCUN1D1TP53
SCHEMBL9533470 0.74 KMT2A (0.77) KMT2AMEN1UBE2MDCUN1D1TP53
SCHEMBL13202810 0.74 KMT2A (0.63) KMT2AMEN1UBE2MDCUN1D1TP53
SCHEMBL2710382 0.73 KMT2A (1.00) KMT2AMEN1UBE2MDCUN1D1TP53
SCHEMBL5637621 0.71 KMT2A (0.73) KMT2AMEN1UBE2MDCUN1D1TP53
SCHEMBL1744058 0.71 KMT2A (0.73) KMT2AMEN1UBE2MDCUN1D1TP53
SCHEMBL7931954 0.71 UBE2M (0.70) KMT2AMEN1UBE2MDCUN1D1TP53

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
WO-2006071958-A1 COMPOUNDS USEFUL AS CHEMOKINE RECEPTOR ANTAGONISTS MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-07-06 WO disclosed