SCHEMBL6633552

SCHEMBL6633552

O=C(Nc1ccccc1F)c1ccco1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 1.00
KMT2A Q03164 2/20 0.67
TSHR P16473 1/20 0.63
MAPT P10636 4/20 0.62
MEN1 O00255 1/20 0.62
ESR2 Q92731 1/20 0.62
RAB9A P51151 3/20 0.60
MAPK1 P28482 1/20 0.60
ALDH1A1 P00352 2/20 0.59
ATM Q13315 1/20 0.59
RECQL P46063 1/20 0.57
GAA P10253 1/20 0.57
ALOX15 P16050 1/20 0.57
EPHX2 P34913 1/20 0.55
KDM4E B2RXH2 1/20 0.55
NPC1 O15118 1/20 0.55

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
SCHEMBL30587183 1.00 SMN1; SMN2 (1.00) SMN1; SMN2KMT2ATSHRMAPTMEN1
SCHEMBL6635707 0.81 SMN1; SMN2 (0.69) SMN1; SMN2KMT2ATSHRMAPTMEN1
SCHEMBL13219529 0.80 KCNMA1 (0.68) SMN1; SMN2KMT2ATSHRMAPTRAB9A
SCHEMBL6638142 0.80 ATM (0.77) SMN1; SMN2KMT2ATSHRMAPTMEN1
SCHEMBL1520253 0.80 KMT2A (0.67) SMN1; SMN2KMT2ATSHRMAPTMEN1
SCHEMBL30117825 0.80 RAB9A (0.74) SMN1; SMN2KMT2ATSHRMAPTMEN1
SCHEMBL6632751 0.80 RAB9A (0.74) SMN1; SMN2KMT2ATSHRMAPTMEN1
SCHEMBL28634421 0.80 SMN1; SMN2 (0.66) SMN1; SMN2KMT2ATSHRMAPTMEN1
SCHEMBL15528812 0.79 MAPK1 (0.71) SMN1; SMN2KMT2ATSHRMAPTMEN1
SCHEMBL13212283 0.79 KMT2A (0.65) SMN1; SMN2KMT2ATSHRMAPTMEN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1442041-A1 AZABICYCLIC-SUBSTITUTED-HETEROARYL COMPOUNDS FOR THE TREATMENT OF DISEASE PHARMACIA & UPJOHN COMPANY (US) 2004-08-04 EP claimed
WO-2003040147-A1 AZABICYCLIC-SUBSTITUTED-HETEROARYL COMPOUNDS FOR THE TREATMENT OF DISEASE__________________________________________________________________________________________________________________________ PHARMACIA & UPJOHN COMPANY (US) 2003-05-15 WO claimed
EP-1442041-A1 AZABICYCLIC-SUBSTITUTED-HETEROARYL COMPOUNDS FOR THE TREATMENT OF DISEASE PHARMACIA & UPJOHN COMPANY (US) 2004-08-04 EP disclosed
WO-2003040147-A1 AZABICYCLIC-SUBSTITUTED-HETEROARYL COMPOUNDS FOR THE TREATMENT OF DISEASE__________________________________________________________________________________________________________________________ PHARMACIA & UPJOHN COMPANY (US) 2003-05-15 WO disclosed