SCHEMBL9848559

SCHEMBL9848559

CN(C)/C=N/c1c(Cl)cc(C(=O)Cl)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.42
SMN1; SMN2 Q16637 4/20 0.41
ALDH1A1 P00352 6/20 0.36
KDM4E B2RXH2 5/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
HSD17B10 Q99714 5/20 0.35
NPC1 O15118 3/20 0.35
MAPT P10636 3/20 0.35
RAB9A P51151 3/20 0.35
NPSR1 Q6W5P4 3/20 0.35
HPGD P15428 2/20 0.35
MEN1 O00255 2/20 0.35
TSHR P16473 2/20 0.35
POLB P06746 1/20 0.35
HTT P42858 3/20 0.33
MAPK1 P28482 2/20 0.33
GAA P10253 1/20 0.33
HBB P68871 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33

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
SCHEMBL9848563 1.00 KMT2A (0.42) KMT2ASMN1; SMN2ALDH1A1KDM4EL3MBTL1
SCHEMBL9848597 0.81 KMT2A (0.38) KMT2ASMN1; SMN2ALDH1A1KDM4EL3MBTL1
SCHEMBL9848598 0.81 KMT2A (0.38) KMT2ASMN1; SMN2ALDH1A1KDM4EL3MBTL1
SCHEMBL11133816 0.74 KMT2A (0.47) KMT2ASMN1; SMN2ALDH1A1KDM4EL3MBTL1
SCHEMBL11133814 0.74 KMT2A (0.47) KMT2ASMN1; SMN2ALDH1A1KDM4EL3MBTL1
SCHEMBL11655430 0.72 ALDH1A1 (0.36) KMT2ASMN1; SMN2ALDH1A1KDM4EL3MBTL1
SCHEMBL9238883 0.72 KMT2A (0.34) KMT2ASMN1; SMN2ALDH1A1L3MBTL1MAPT
SCHEMBL9238889 0.72 KMT2A (0.34) KMT2ASMN1; SMN2ALDH1A1L3MBTL1MAPT
SCHEMBL7273293 0.71 KMT2A (0.49) KMT2ASMN1; SMN2ALDH1A1KDM4EL3MBTL1
SCHEMBL7273288 0.71 KMT2A (0.49) KMT2ASMN1; SMN2ALDH1A1KDM4EL3MBTL1

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-0459829-A1 Pharmacologically active CNS compounds THE WELLCOME FOUNDATION LIMITED (GB) 1991-12-04 EP disclosed