SCHEMBL23484176

SCHEMBL23484176

COc1cc(NC2CCCC2)ccc1OC(F)F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.49
GALR2 O43603 2/20 0.48
GALR1 P47211 2/20 0.48
PDGFRB P09619 2/20 0.45
PDGFRA P16234 2/20 0.45
MAPK1 P28482 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
NPC1 O15118 1/20 0.45
TP53 P04637 1/20 0.45
TSHR P16473 1/20 0.45
RAB9A P51151 1/20 0.45
LMNA P02545 2/20 0.43
MAPT P10636 2/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
PDE4A P27815 5/20 0.42
PDE4B Q07343 5/20 0.42
PDE4C Q08493 5/20 0.42
PDE4D Q08499 5/20 0.42
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL8063654 0.80 ULK1 (0.50) L3MBTL1PDGFRBPDGFRASMN1; SMN2LMNA
SCHEMBL17048156 0.79 KMT2A (0.55) GALR1PDGFRBPDGFRASMN1; SMN2NPC1
SCHEMBL4193485 0.78 POLB (0.60) KMT2AMEN1PDE4APDE4BPDE4C
SCHEMBL17048144 0.78 KMT2A (0.57) GALR1PDGFRBPDGFRASMN1; SMN2NPC1
SCHEMBL17048354 0.76 KMT2A (0.51) PDGFRBPDGFRAKMT2AALDH1A1HPGD
SCHEMBL15934219 0.76 PTPN7 (0.48) L3MBTL1PDGFRBPDGFRASMN1; SMN2NPC1
SCHEMBL15934278 0.75 ALDH1A1 (0.49) L3MBTL1PDGFRBPDGFRASMN1; SMN2NPC1
SCHEMBL7400686 0.74 APOBEC3G (0.54) PDGFRBPDGFRASMN1; SMN2TP53TSHR
SCHEMBL17048125 0.72 KMT2A (0.47) MAPK1RAB9ALMNAKMT2APTGS1
SCHEMBL4117088 0.72 KMT2A (0.72) MAPK1SMN1; SMN2NPC1TP53TSHR

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
WO-2021113795-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS FLATLEY DISCOVERY LAB, LLC (US) 2021-06-10 WO disclosed