SCHEMBL9218533

SCHEMBL9218533

CCOC(=O)c1ccc(OCC2(O)CCN(c3ccc(Cl)nn3)CC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.43
LMNA P02545 2/20 0.43
MAPT P10636 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
PIK3CA P42336 1/20 0.41
PANK3 Q9H999 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
RAB9A P51151 1/20 0.40
HRH3 Q9Y5N1 2/20 0.40
KCNH2 Q12809 1/20 0.40
TBXAS1 P24557 1/20 0.40
HTT P42858 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39
P2RY12 Q9H244 1/20 0.39
GAA P10253 1/20 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
SCHEMBL10588330 0.81 MEN1 (0.49) KDM4ELMNAMAPTNPSR1RXFP1
SCHEMBL10588331 0.81 MEN1 (0.49) KDM4ELMNAMAPTNPSR1RXFP1
SCHEMBL9197768 0.81 HRH3 (0.53) KDM4ELMNAMAPTNPSR1RXFP1
SCHEMBL9483149 0.80 MEN1 (0.40) LMNAPANK3MEN1KMT2ASMN1; SMN2
SCHEMBL15004872 0.80 HRH3 (0.60) HRH3KCNH2TBXAS1
SCHEMBL9220052 0.78 KMT2A (0.47) KDM4ELMNAMAPTNPSR1RXFP1
SCHEMBL9220790 0.78 MEN1 (0.47) KDM4ELMNAMAPTNPSR1RXFP1
SCHEMBL9473950 0.77 LMNA (0.52) KDM4ELMNAMAPTNPSR1RXFP1
SCHEMBL9219081 0.77 KCNH2 (0.41) KDM4ELMNAMAPTNPSR1RXFP1
SCHEMBL9209237 0.75 LMNA (0.55) KDM4ELMNAMEN1KMT2ASMN1; SMN2

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
EP-0320032-B1 Pyridizinamine derivatives JANSSEN PHARMACEUTICA NV (BE) 1995-01-18 EP disclosed
US-5106973-A Viricide intermediates JANSSEN PHARMACEUTICA N.V. (BE) 1992-04-21 US disclosed
US-4992433-A Viricides JANSSEN PHARMACEUTICA N.V. (BE) 1991-02-12 US disclosed
EP-0320032-A1 Pyridizinamine derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1989-06-14 EP disclosed