SCHEMBL7521932

SCHEMBL7521932

OC(=Cc1ccccn1)c1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.71
RAB9A P51151 6/20 0.54
NPC1 O15118 5/20 0.54
KMT2A Q03164 4/20 0.54
MEN1 O00255 3/20 0.54
ATM Q13315 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.47
LMNA P02545 2/20 0.47
MAPT P10636 2/20 0.47
HTT P42858 1/20 0.47
MAOA P21397 1/20 0.46
KDM4E B2RXH2 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NR4A1 P22736 1/20 0.42
USP2 O75604 1/20 0.42
CYP1A2 P05177 1/20 0.41
POLB P06746 1/20 0.41
CCR1 P32246 1/20 0.41
CCR5 P51681 1/20 0.41
CCR8 P51685 1/20 0.41

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
SCHEMBL14611861 1.00 TDP1 (0.71) TDP1RAB9ANPC1KMT2AMEN1
SCHEMBL11451952 0.83 TDP1 (1.00) TDP1RAB9ANPC1KMT2AMEN1
Hydrochloric Acid SCHEMBL11451936 0.82 TDP1 (0.96) TDP1RAB9ANPC1KMT2AMEN1
SCHEMBL25415051 0.80 TDP1 (0.67) TDP1RAB9ANPC1KMT2AMEN1
SCHEMBL19380825 0.80 TDP1 (0.67) TDP1RAB9ANPC1KMT2AMEN1
SCHEMBL22406435 0.80 TDP1 (0.67) TDP1RAB9ANPC1KMT2AMEN1
SCHEMBL18803863 0.77 TDP1 (0.62) TDP1RAB9ANPC1KMT2AMEN1
SCHEMBL7523674 0.76 TDP1 (0.51) TDP1RAB9ANPC1KMT2AMEN1
SCHEMBL7517901 0.76 TDP1 (0.51) TDP1RAB9ANPC1KMT2AMEN1
SCHEMBL7520091 0.76 TDP1 (0.51) TDP1RAB9ANPC1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0937044-B1 CFTR CHANNEL ACTIVATOR COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME CENTRE NAT RECH SCIENT (FR) 2002-01-30 EP disclosed
EP-0937044-A1 CFTR CHANNEL ACTIVATOR COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 1999-08-25 EP disclosed
WO-1998005642-A1 CFTR CHANNEL ACTIVATOR COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 1998-02-12 WO disclosed