SCHEMBL11285686

SCHEMBL11285686

Cn1c(=O)n(CCNCc2ccccc2)c2ccccc21

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
ALDH1A1 P00352 1/20 0.49
CYP1A2 P05177 1/20 0.49
POLB P06746 1/20 0.48
THRB P10828 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
MAOA P21397 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
ACHE P22303 4/20 0.47
DPP7 Q9UHL4 1/20 0.46
CHRM2 P08172 1/20 0.46

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
SCHEMBL13327059 0.82 MEN1 (0.59) MEN1KMT2APOLBMAOATDP1
SCHEMBL10634695 0.79 HDAC8 (0.49) LMNAPOLBMAOAACHE
SCHEMBL16822116 0.77 POLB (0.59) LMNAMEN1KMT2AALDH1A1CYP1A2
SCHEMBL24665898 0.73 CYP1A2 (0.61) LMNAMEN1KMT2AALDH1A1CYP1A2
SCHEMBL16822023 0.72 CYP1A2 (0.59) LMNAMEN1KMT2AALDH1A1CYP1A2
SCHEMBL11098187 0.72 CYP1A2 (0.59) LMNAMEN1KMT2AALDH1A1CYP1A2
SCHEMBL6955745 0.72 CYP1A2 (0.59) LMNAMEN1KMT2AALDH1A1CYP1A2
SCHEMBL1520129 0.71 APEX1 (0.62) LMNAALDH1A1CYP1A2L3MBTL1
SCHEMBL5286253 0.71 CYP1A2 (0.62) LMNAMEN1KMT2AALDH1A1CYP1A2
SCHEMBL7274898 0.71 TSHR (0.51) LMNAMEN1KMT2AALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4363814-A VASODILATORS AND CNS STIMULANTS BOEHRINGER INGELHEIM GMBH (DE) 1982-12-14 US disclosed
US-4271158-A Vasodilating or antidepressant phenalkanolaminoalkyl-substituted imidazolidinones BOEHRINGER INGELHEIM GMBH (US) 1981-06-02 US disclosed
US-4215119-A VASODILATORS, ANTIDEPRESSANTS BOEHRINGER INGELHEIM GMBH (DE) 1980-07-29 US disclosed
US-4154829-A ANTIDEPRESSANT, VASODILATION BOEHRINGER INGELHEIM GMBH (DE) 1979-05-15 US disclosed