SCHEMBL24928637

SCHEMBL24928637

NCCCCC(O)c1nc2ccccc2o1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.47
DDAH1 O94760 1/20 0.44
ADRA2C P18825 1/20 0.44
NPC1 O15118 4/20 0.41
RAB9A P51151 3/20 0.41
MAPT P10636 3/20 0.41
TP53 P04637 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
ALDH1A1 P00352 3/20 0.40
HSD17B10 Q99714 2/20 0.40
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40
LMNA P02545 2/20 0.38
BCHE P06276 2/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
ATM Q13315 1/20 0.36
HTT P42858 1/20 0.36
GFER P55789 1/20 0.36
FAAH O00519 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
Hydrochloric Acid SCHEMBL3621160 0.94 LOXL2 (0.47) LOXL2DDAH1ADRA2CNPC1RAB9A
SCHEMBL6468700 0.84 LOXL2 (0.49) LOXL2DDAH1ADRA2CNPC1RAB9A
SCHEMBL6206770 0.83 MAPT (0.48) NPC1RAB9AMAPTTP53SMN1; SMN2
SCHEMBL6630971 0.82 HDAC3 (0.47) LOXL2NPC1RAB9AMAPTTP53
SCHEMBL14562892 0.81 HSF1 (0.44) LOXL2NPC1RAB9AMAPTTP53
SCHEMBL5703678 0.79 HDAC3 (0.50) LOXL2NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL6207598 0.79 HDAC3 (0.50) LOXL2NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL6462282 0.78 NPC1 (0.38) LOXL2DDAH1ADRA2CNPC1RAB9A
Hydrochloric Acid SCHEMBL7255759 0.78 HDAC3 (0.49) LOXL2NPC1RAB9AMAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL7255756 0.78 HDAC3 (0.49) LOXL2NPC1RAB9AMAPTSMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4122499-A1 FIBROBLAST ACTIVATION PROTEIN INHIBITORS AND USE THEREOF 3B Pharmaceuticals GmbH (DE) 2023-01-25 EP disclosed