SCHEMBL11240131

SCHEMBL11240131

Cc1nccn1CCOc1cc(Cl)cc(Cl)c1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
KMT2A Q03164 3/20 0.47
POLB P06746 1/20 0.47
MAPT P10636 2/20 0.44
TP53 P04637 1/20 0.43
GAA P10253 1/20 0.43
MAPK1 P28482 1/20 0.43
HSD17B10 Q99714 1/20 0.43
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
HTT P42858 2/20 0.40
LMNA P02545 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KDM4E B2RXH2 1/20 0.40

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
Maleic Acid SCHEMBL11263894 0.88 ALDH1A1 (0.43) ALDH1A1KMT2APOLBHPGDSMN1; SMN2
SCHEMBL11247290 0.84 NPSR1 (0.55) ALDH1A1KMT2APOLBMAPTSMN1; SMN2
SCHEMBL11251413 0.81 KDM4E (0.49) ALDH1A1KMT2APOLBLMNAKDM4E
SCHEMBL11142733 0.78 TBXAS1 (0.51) ALDH1A1KMT2APOLBTP53HTT
Maleic Acid SCHEMBL11250986 0.77 MCL1 (0.50) ALDH1A1KMT2AMAPTTP53GAA
Maleic Acid SCHEMBL11264466 0.77 ALDH1A1 (0.43) ALDH1A1KMT2APOLBHPGDSMN1; SMN2
SCHEMBL11248409 0.77 ALDH1A1 (0.54) ALDH1A1KMT2APOLBTSHRSMN1; SMN2
SCHEMBL11241447 0.77 HPGD (0.56) ALDH1A1GAAMAPK1HPGDSMN1; SMN2
SCHEMBL11243418 0.76 ALDH1A1 (0.53) ALDH1A1KMT2APOLBSMN1; SMN2HTT
SCHEMBL8678546 0.76 KMT2A (0.60) ALDH1A1KMT2APOLBHPGDTSHR

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-0049060-A1 Imidazoles BEECHAM GROUP PLC (GB) 1982-04-07 EP disclosed