SCHEMBL11046744

SCHEMBL11046744

C=CCN(CC=C)CCCOc1ccccc1Oc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.55
KMT2A Q03164 4/20 0.54
MEN1 O00255 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
ALDH1A1 P00352 7/20 0.52
TDP1 Q9NUW8 3/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
ATM Q13315 2/20 0.52
HPGD P15428 1/20 0.49
BCHE P06276 4/20 0.44
POLB P06746 1/20 0.39
CACNA1B Q00975 1/20 0.39

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
SCHEMBL11039640 0.93 KDM4E (0.62) KDM4EKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL10988212 0.80 ALDH1A1 (0.60) KDM4EALDH1A1TDP1BCHE
SCHEMBL5239038 0.74 TSHR (0.49) KDM4EKMT2AALDH1A1L3MBTL1HPGD
SCHEMBL11727531 0.73 KCNA3 (0.48) KDM4EALDH1A1TDP1L3MBTL1
SCHEMBL28859173 0.73 KCNA3 (0.48) KDM4EALDH1A1TDP1L3MBTL1
SCHEMBL11027702 0.72 HRH1 (0.43) KDM4EKMT2AALDH1A1L3MBTL1
SCHEMBL10437664 0.72 KCNA3 (0.46) KDM4EKMT2AALDH1A1L3MBTL1
SCHEMBL11669462 0.72 HTR1B (0.58) KDM4ESMN1; SMN2ALDH1A1CACNA1B
SCHEMBL11726694 0.71 KCNA3 (0.47) ALDH1A1TDP1L3MBTL1POLB
SCHEMBL11729477 0.71 HTR1B (0.56) KDM4ESMN1; SMN2ALDH1A1CACNA1B

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-4562211-A ANTIDEPRESSANTS MITSUBISHI CHEMICAL INDUSTRIES, LTD. (JP) 1985-12-31 US disclosed