SCHEMBL9214586

SCHEMBL9214586

O=C(OCC1CC1)c1ccc(OCCC2CCN(c3ccc(Cl)nn3)CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

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
PANK3 Q9H999 3/20 0.43
DRD2 P14416 1/20 0.42
DRD4 P21917 1/20 0.42
CHRNB2 P17787 1/20 0.39
CHRNA7 P36544 1/20 0.39
CHRNA4 P43681 1/20 0.39
GPR119 Q8TDV5 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TEAD1 P28347 1/20 0.37
TEAD3 Q99594 1/20 0.37
JMJD6 Q6NYC1 1/20 0.37
ACACB O00763 1/20 0.37
CYP1A2 P05177 1/20 0.36
HTR4 Q13639 1/20 0.36
PARP15 Q460N3 1/20 0.36

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
SCHEMBL9212873 0.88 LMNA (0.46) LMNAHTTMEN1KMT2ASMN1; SMN2
SCHEMBL9220790 0.85 MEN1 (0.47) LMNAHTTMEN1KMT2ASMN1; SMN2
SCHEMBL10588331 0.84 MEN1 (0.49) LMNAHTTMEN1KMT2ASMN1; SMN2
SCHEMBL10588330 0.84 MEN1 (0.49) LMNAHTTMEN1KMT2ASMN1; SMN2
SCHEMBL9270932 0.82 LMNA (0.52) LMNAHTTMEN1KMT2ASMN1; SMN2
Pirodavir SCHEMBL146440 0.81 HRH3 (0.46) LMNAHTTKMT2AGPR119L3MBTL1
SCHEMBL7492587 0.79 LMNA (0.45) LMNAHTTMEN1KMT2ASMN1; SMN2
SCHEMBL9219673 0.79 NPC1 (0.43) LMNAHTTMEN1KMT2ASMN1; SMN2
SCHEMBL9218863 0.78 HRH3 (0.44) LMNAHTTGPR119L3MBTL1
SCHEMBL9209752 0.78 HRH3 (0.44) LMNAHTTGPR119L3MBTL1

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