SCHEMBL28833108

SCHEMBL28833108

Oc1cc(-c2ccc(Cl)cc2)n[nH]1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPL P05186 3/20 0.59
CA12 O43570 2/20 0.59
KMT2A Q03164 5/20 0.57
MEN1 O00255 4/20 0.57
NPC1 O15118 3/20 0.57
RAB9A P51151 3/20 0.57
MAPT P10636 6/20 0.54
NPSR1 Q6W5P4 3/20 0.54
LMNA P02545 2/20 0.54
HPGD P15428 2/20 0.54
MCL1 Q07820 2/20 0.54
HTT P42858 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
ALOX15 P16050 1/20 0.51
MAPK1 P28482 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
POLB P06746 1/20 0.47
PKM P14618 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
TP53 P04637 1/20 0.47

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
SCHEMBL14844788 0.80 CA12 (0.59) ALPLCA12KMT2AMEN1NPC1
SCHEMBL20583624 0.80 SMN1; SMN2 (0.61) ALPLCA12KMT2AMEN1NPC1
SCHEMBL643623 0.79 RAB9A (0.61) ALPLCA12KMT2AMEN1NPC1
SCHEMBL9048096 0.78 KMT2A (0.64) ALPLCA12KMT2AMEN1NPC1
SCHEMBL28195531 0.77 NOTUM (0.44) ALPLCA12KMT2AMEN1NPC1
Bromide SCHEMBL31659833 0.77 KMT2A (0.62) ALPLCA12KMT2AMEN1NPC1
Bromide SCHEMBL26095595 0.77 KMT2A (0.62) ALPLCA12KMT2AMEN1NPC1
SCHEMBL474802 0.76 ALPL (0.54) ALPLCA12KMT2AMEN1NPC1
SCHEMBL22593932 0.76 ALPL (0.54) ALPLCA12KMT2AMEN1NPC1
SCHEMBL1160360 0.76 NPC1 (0.67) ALPLCA12KMT2AMEN1NPC1

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
CN-104059020-B The preparation method of 1-aryl-5-hydroxypyrazoles 湖南海利常德农药化工有限公司 2016-08-31 CN disclosed