SCHEMBL29918043

SCHEMBL29918043

O=C1C(c2cnc3ccccc3n2)=C(O)c2ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 2/20 1.00
HSP90AB1 P08238 2/20 1.00
NPC1 O15118 9/20 0.52
RAB9A P51151 8/20 0.52
MAPT P10636 7/20 0.52
SMN1; SMN2 Q16637 6/20 0.52
TP53 P04637 2/20 0.52
ESR1 P03372 1/20 0.52
PTK2B Q14289 1/20 0.52
BCHE P06276 1/20 0.49
ALDH1A1 P00352 6/20 0.47
MAPK10 P53779 3/20 0.47
HSD17B10 Q99714 3/20 0.47
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
ALOX12 P18054 1/20 0.46
ATM Q13315 1/20 0.46
KDM4E B2RXH2 3/20 0.45
APAF1 O14727 2/20 0.45
LMNA P02545 1/20 0.45

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
SCHEMBL23327149 1.00 HSP90AA1 (1.00) HSP90AA1HSP90AB1NPC1RAB9AMAPT
SCHEMBL11964734 0.79 HSP90AA1 (0.66) HSP90AA1HSP90AB1NPC1RAB9AMAPT
SCHEMBL15106802 0.73 HSP90AA1 (0.58) HSP90AA1HSP90AB1NPC1RAB9AMAPT
SCHEMBL2076567 0.73 HSP90AA1 (0.57) HSP90AA1HSP90AB1NPC1RAB9AMAPT
SCHEMBL26655868 0.73 APAF1 (0.67) HSP90AA1HSP90AB1NPC1RAB9AMAPT
SCHEMBL9797474 0.73 BCHE (0.58) HSP90AA1HSP90AB1NPC1RAB9AMAPT
SCHEMBL29942654 0.71 NPC1 (0.63) HSP90AA1HSP90AB1NPC1RAB9AMAPT
SCHEMBL29614829 0.71 NPC1 (0.63) HSP90AA1HSP90AB1NPC1RAB9AMAPT
SCHEMBL29966674 0.71 NPC1 (0.63) HSP90AA1HSP90AB1NPC1RAB9AMAPT
SCHEMBL3076524 0.71 NPC1 (0.63) HSP90AA1HSP90AB1NPC1RAB9AMAPT

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-4055164-A1 TREATMENT OF ABERRANT FIBROBLAST PROLIFERATION Georg-August-Universitaet Goettingen Stiftung Oeffentlichen Rechts, Universitaetsmedizin (DE) 2022-09-14 EP disclosed