SCHEMBL9953480

SCHEMBL9953480

Cc1ccc2noc(Cl)c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.47
ALDH1A1 P00352 7/20 0.41
KDM4E B2RXH2 5/20 0.41
MAPT P10636 4/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
RAB9A P51151 3/20 0.41
HPGD P15428 3/20 0.41
NPC1 O15118 2/20 0.41
POLB P06746 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ELANE P08246 1/20 0.41
PTK2B Q14289 1/20 0.41
GFER P55789 1/20 0.40
IP6K1 Q92551 2/20 0.40
IP6K3 Q96PC2 2/20 0.40
IP6K2 Q9UHH9 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
GAA P10253 1/20 0.37
HTT P42858 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
SCHEMBL9954949 0.84 LMNA (0.39) LMNAALDH1A1KDM4EMAPTMEN1
SCHEMBL9955960 0.79 ALDH1A1 (0.59) LMNAALDH1A1KDM4EMAPTMEN1
SCHEMBL8404510 0.79 DYRK1A (0.54) LMNAALDH1A1KDM4EMAPTMEN1
SCHEMBL9955574 0.76 MEN1 (0.41) LMNAALDH1A1KDM4EMAPTMEN1
SCHEMBL21596925 0.76 DYRK1A (0.44) LMNAALDH1A1KDM4EMAPTMEN1
SCHEMBL12330213 0.75 ALDH1A1 (0.63) LMNAALDH1A1KDM4EMAPTMEN1
SCHEMBL14943768 0.73 ALDH1A1 (0.69) LMNAALDH1A1KDM4EMAPTMEN1
SCHEMBL25174048 0.71 IP6K1 (0.52) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL14041337 0.71 KDM4E (0.38) LMNAALDH1A1KDM4EMAPTMEN1
SCHEMBL10396461 0.71 ALDH1A1 (0.66) LMNAALDH1A1KDM4EMAPTMEN1

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
WO-2012085857-A1 3,8-DIAZA-BICYCLO[4.2.0]OCT-3-YL AMIDES ACTELION PHARMACEUTICALS LTD (CH) 2012-06-28 WO disclosed