SCHEMBL9212873

SCHEMBL9212873

C#CCOC(=O)c1ccc(OCCC2CCN(c3ccc(Cl)nn3)CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.46
HTT P42858 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
DCTPP1 Q9H773 1/20 0.42
PANK3 Q9H999 6/20 0.41
MAPT P10636 1/20 0.38
GPR119 Q8TDV5 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
TEAD1 P28347 1/20 0.35
TEAD3 Q99594 1/20 0.35
HTR4 Q13639 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
CHEK2 O96017 1/20 0.35

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
SCHEMBL9214586 0.88 LMNA (0.46) LMNAHTTMEN1KMT2ASMN1; SMN2
SCHEMBL9220790 0.83 MEN1 (0.47) LMNAHTTMEN1KMT2ASMN1; SMN2
SCHEMBL9270932 0.81 LMNA (0.52) LMNAHTTMEN1KMT2ASMN1; SMN2
Pirodavir SCHEMBL146440 0.79 HRH3 (0.46) LMNAHTTKMT2AMAPTGPR119
SCHEMBL9209752 0.78 HRH3 (0.44) LMNAHTTMAPTGPR119L3MBTL1
SCHEMBL9218863 0.78 HRH3 (0.44) LMNAHTTMAPTGPR119L3MBTL1
SCHEMBL10588330 0.78 MEN1 (0.49) LMNAHTTMEN1KMT2ASMN1; SMN2
SCHEMBL10588331 0.78 MEN1 (0.49) LMNAHTTMEN1KMT2ASMN1; SMN2
SCHEMBL7492587 0.77 LMNA (0.45) LMNAHTTMEN1KMT2ASMN1; SMN2
SCHEMBL9219673 0.77 NPC1 (0.43) LMNAHTTMEN1KMT2ASMN1; 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-5231184-A Viricide intermediate JANSSEN PHARMACEUTICA N.V. (BE) 1993-07-27 US 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