SCHEMBL8943130

SCHEMBL8943130

Cc1cc(F)ccc1NNc1cc(F)ccc1C

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
GAA P10253 1/20 0.42
ALDH1A1 P00352 6/20 0.41
HPGD P15428 2/20 0.40
MAPT P10636 7/20 0.40
TDP1 Q9NUW8 2/20 0.40
HTT P42858 2/20 0.40
MAPK1 P28482 2/20 0.40
LMNA P02545 2/20 0.40
POLB P06746 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KDM4E B2RXH2 2/20 0.38

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
SCHEMBL19848482 0.76 MAPT (0.38) MEN1KMT2AGAAALDH1A1HPGD
SCHEMBL9230966 0.76 MAPT (0.42) MEN1KMT2AGAAALDH1A1HPGD
SCHEMBL854924 0.76 ALDH1A1 (0.44) MEN1KMT2AALDH1A1MAPTTDP1
SCHEMBL11421284 0.74 ALDH1A1 (0.44) MEN1KMT2AALDH1A1MAPTTDP1
SCHEMBL11802152 0.74 MAPT (0.43) MEN1KMT2AGAAALDH1A1HPGD
SCHEMBL21844929 0.74 ALDH1A1 (0.42) MEN1KMT2AALDH1A1MAPTTDP1
SCHEMBL20119833 0.74 MAPT (0.45) MEN1KMT2AGAAALDH1A1HPGD
SCHEMBL8064140 0.74 ALDH1A1 (0.44) MEN1KMT2AALDH1A1MAPTTDP1
SCHEMBL9494016 0.74 GAA (0.57) MEN1KMT2AGAAALDH1A1HPGD
SCHEMBL854923 0.74 ALDH1A1 (0.42) MEN1KMT2AALDH1A1MAPTTDP1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0710257-A1 IMIDO TRANSITION METAL COMPLEX METATHESIS CATALYSTS SHELL OIL CO (US) 1996-05-08 EP disclosed
WO-1995003346-A1 IMIDO TRANSITION METAL COMPLEX METATHESIS CATALYSTS SHELL OIL COMPANY (US) 1995-02-02 WO disclosed