SCHEMBL3237651

SCHEMBL3237651

CC(C)C(O)C(CCCc1cccc(Cl)c1)n1cncn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.48
MEN1 O00255 4/20 0.48
TDP1 Q9NUW8 2/20 0.47
POLB P06746 1/20 0.41
HSP90AA1 P07900 1/20 0.41
HTR3E A5X5Y0 1/20 0.39
HTR3B O95264 1/20 0.39
HTR3A P46098 1/20 0.39
HTR3D Q70Z44 1/20 0.39
HTR3C Q8WXA8 1/20 0.39
TSHR P16473 1/20 0.36
RECQL P46063 1/20 0.36
SLC2A1 P11166 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
PNMT P11086 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
TAAR1 Q96RJ0 2/20 0.35
MAPT P10636 1/20 0.34

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
SCHEMBL12394776 0.89 KMT2A (0.60) KMT2AMEN1TDP1POLBHSP90AA1
SCHEMBL13447836 0.85 KMT2A (0.57) KMT2AMEN1TDP1POLBHSP90AA1
SCHEMBL3232890 0.80 MEN1 (0.44) KMT2AMEN1TDP1POLBHSP90AA1
SCHEMBL3232537 0.79 MAPT (0.43) KMT2AMEN1TDP1HTR3EHTR3B
SCHEMBL2172544 0.76 MEN1 (0.51) KMT2AMEN1TDP1POLBHSP90AA1
SCHEMBL12394779 0.74 MEN1 (0.76) KMT2AMEN1TDP1POLBHSP90AA1
SCHEMBL3232475 0.74 MEN1 (0.41) KMT2AMEN1TDP1POLBHSP90AA1
SCHEMBL10364639 0.74 MEN1 (0.57) KMT2AMEN1TDP1POLBHSP90AA1
SCHEMBL2172173 0.74 KDM4E (0.52) KMT2AMEN1TDP1POLBHSP90AA1
SCHEMBL3232870 0.72 SMN1; SMN2 (0.45) KMT2ATSHRLMNA

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-2010029065-A1 IMIDAZOLE AND TRIAZOLE COMPOUNDS, USE THEREOF AND AGENTS CONTAINING SAID COMPOUNDS BASF SE (DE) 2010-03-18 WO disclosed