SCHEMBL13579971

SCHEMBL13579971

C1=CC(CNCc2ccccc2)=CCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ MAOA P21397 1/20 0.41
▸ DPP7 Q9UHL4 2/20 0.41
▸ CHRM2 P08172 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ BCHE P06276 1/20 0.40
▸ SIGMAR1 Q99720 1/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ HDAC8 Q9BY41 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ CXCR4 P61073 1/20 0.37
▸ ADH1B P00325 1/20 0.37
▸ ADH1C P00326 1/20 0.37

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
SCHEMBL18434638 0.98 MEN1 (0.44) MEN1KMT2ATDP1MAOADPP7
SCHEMBL19072596 0.94 BCHE (0.43) MEN1KMT2ATDP1MAOADPP7
SCHEMBL14231134 0.93 MEN1 (0.57) MEN1KMT2ATDP1MAOADPP7
SCHEMBL17454815 0.83 ANPEP (0.36) TDP1CA1CA2
SCHEMBL12178086 0.76 AOC3 (0.37) MEN1KMT2AGAAMAPTCA2
SCHEMBL16024525 0.73 — —
SCHEMBL2664200 0.73 — —
SCHEMBL5799878 0.73 MEN1 (0.78) MEN1KMT2ATDP1MAOACHRM2
SCHEMBL1654 0.73 MEN1 (0.78) MEN1KMT2ATDP1MAOACHRM2
Benzene SCHEMBL11697595 0.73 MEN1 (0.78) MEN1KMT2ATDP1MAOACHRM2

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-7638546-B1 Imidazolyl derivatives IPSEN PHARMA S.A.S. (FR) 2009-12-29 — — US disclosed
Send feedback