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SCHEMBL9537203

SCHEMBL9537203

Cc1ccc(Cn2c(CC3CCN(CCNC(N)=S)CC3)nc3cccnc32)cc1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 8/20 0.47
▸ ENPP2 Q13822 2/20 0.47
▸ THRB P10828 2/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ LMNA P02545 3/20 0.46
▸ MAPT P10636 3/20 0.44
▸ POLB P06746 2/20 0.44
▸ SLC6A9 P48067 1/20 0.43
▸ RXFP1 Q9HBX9 1/20 0.43

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
SCHEMBL9535114 0.92 SLC6A9 (0.53) TP53ENPP2THRBLMNAMAPT
SCHEMBL9536524 0.87 MEN1 (0.47) TP53LMNAMAPTPOLB
SCHEMBL10550485 0.85 LMNA (0.41) TP53ENPP2THRBTDP1LMNA
SCHEMBL9540292 0.84 SLC6A9 (0.62) TP53ENPP2MAPTPOLBSLC6A9
SCHEMBL9537582 0.83 TP53 (0.53) TP53ENPP2THRBLMNAMAPT
SCHEMBL9535297 0.83 SLC6A9 (0.47) TP53LMNASLC6A9
SCHEMBL9536863 0.82 TP53 (0.54) TP53ENPP2THRBLMNAMAPT
SCHEMBL9538462 0.79 TP53 (0.45) TP53ENPP2THRBTDP1LMNA
SCHEMBL9539993 0.79 MEN1 (0.48) TDP1LMNAPOLB
SCHEMBL10548972 0.79 TP53 (0.54) TP53ENPP2THRBLMNAMAPT

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
EP-0151826-B1 4-[(Bicyclic heterocyclyl)-methyl and -hetero]-piperidines JANSSEN PHARMACEUTICA N.V. (BE) 1993-03-31 — — EP disclosed