SCHEMBL8625640

SCHEMBL8625640

O=C(Nc1ccc(Cl)cc1)Nc1ccc2c(c1)c(O)nn2Cc1ccc(Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
NPC1 O15118 2/20 0.46
LMNA P02545 1/20 0.46
EPHX1 P07099 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
CHRM1 P11229 1/20 0.46
SLC6A2 P23975 1/20 0.46
PDE4A P27815 1/20 0.46
EPHX2 P34913 1/20 0.46
ADRA1A P35348 1/20 0.46
OPRM1 P35372 1/20 0.46
HTT P42858 1/20 0.46
PDE3A Q14432 1/20 0.46
NLRP3 Q96P20 1/20 0.46
KCNJ6 P48051 2/20 0.45
KCNJ5 P48544 2/20 0.45
KCNJ3 P48549 2/20 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
SCHEMBL8629884 0.93 EPHX1 (0.52) MAPTNPSR1MEN1KMT2ANPC1
SCHEMBL8626596 0.93 MEN1 (0.54) MAPTNPSR1MEN1KMT2ANPC1
SCHEMBL8624699 0.92 FPR2 (0.51) MAPTMEN1KMT2ANPC1LMNA
Cyclopropane SCHEMBL8521839 0.87 MAPT (0.44) MAPTNPSR1MEN1KMT2ANPC1
SCHEMBL8627064 0.87 EPHX1 (0.50) MAPTMEN1KMT2ANPC1LMNA
SCHEMBL8624551 0.87 TRPV1 (0.51) MAPTNPSR1MEN1KMT2ANPC1
SCHEMBL8627444 0.85 NPC1 (0.56) MAPTMEN1KMT2ANPC1LMNA
SCHEMBL8630339 0.85 HTT (0.47) MAPTMEN1KMT2ANPC1LMNA
SCHEMBL8626573 0.82 RAF1 (0.49) MAPTMEN1KMT2ANPC1HTT
SCHEMBL8446930 0.79 MCL1 (0.42) MAPTNPSR1MEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5776932-A ANTIALLERGENS, ANTIASTHMATICS, ANTIINFLAMMATORY AGENTS AND MODULATORS ARZNEIMITTELWERK DRESDEN G.M.B.H. (DE) 1998-07-07 US claimed
US-5776932-A ANTIALLERGENS, ANTIASTHMATICS, ANTIINFLAMMATORY AGENTS AND MODULATORS ARZNEIMITTELWERK DRESDEN G.M.B.H. (DE) 1998-07-07 US disclosed