SCHEMBL3240771

SCHEMBL3240771

CC(Cc1ccc(Cl)cc1Cl)CC(C(=O)C1(C)CCCCC1)n1cncn1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
P2RX7 Q99572 2/20 0.36
MAPT P10636 2/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
HSP90AA1 P07900 1/20 0.36
PKM P14618 1/20 0.36
HPGD P15428 1/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MC4R P32245 9/20 0.34
CYP3A4 P08684 2/20 0.33
UGCG Q16739 1/20 0.33

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
SCHEMBL3235788 0.95 MEN1 (0.50) MEN1KMT2ATDP1P2RX7MAPT
SCHEMBL3241681 0.88 MEN1 (0.50) MEN1KMT2ATDP1P2RX7MAPT
SCHEMBL3230944 0.83 MEN1 (0.55) MEN1KMT2ATDP1MAPTALDH1A1
SCHEMBL3232820 0.80 MEN1 (0.56) MEN1KMT2ATDP1P2RX7MAPT
SCHEMBL11177679 0.79 MEN1 (0.51) MEN1KMT2ATDP1P2RX7MAPT
SCHEMBL11172712 0.77 MEN1 (0.47) MEN1KMT2ATDP1P2RX7MAPT
SCHEMBL3239281 0.77 MEN1 (0.59) MEN1KMT2ATDP1P2RX7MAPT
SCHEMBL11174963 0.75 MEN1 (0.47) MEN1KMT2ATDP1P2RX7MAPT
SCHEMBL3230947 0.75 MEN1 (0.59) MEN1KMT2ATDP1P2RX7MAPT
SCHEMBL11171171 0.75 MEN1 (0.51) MEN1KMT2ATDP1P2RX7MAPT

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-2010029066-A1 IMIDAZOLE AND TRIAZOLE COMPOUNDS, USE THEREOF AND AGENTS CONTAINING SAID COMPOUNDS BASF SE (DE) 2010-03-18 WO disclosed