SCHEMBL8626596

SCHEMBL8626596

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.54
KMT2A Q03164 7/20 0.54
NPC1 O15118 4/20 0.54
EPHX1 P07099 2/20 0.54
EPHX2 P34913 2/20 0.54
LMNA P02545 2/20 0.54
ADORA3 P0DMS8 1/20 0.54
CHRM1 P11229 1/20 0.54
SLC6A2 P23975 1/20 0.54
PDE4A P27815 1/20 0.54
ADRA1A P35348 1/20 0.54
OPRM1 P35372 1/20 0.54
HTT P42858 1/20 0.54
PDE3A Q14432 1/20 0.54
NLRP3 Q96P20 1/20 0.54
P2RY1 P47900 1/20 0.47
SLC2A1 P11166 1/20 0.46
MAPT P10636 5/20 0.44
CNR1 P21554 1/20 0.44
CA2 P00918 1/20 0.43

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 0.96 EPHX1 (0.52) MEN1KMT2ANPC1EPHX1EPHX2
SCHEMBL8627064 0.94 EPHX1 (0.50) MEN1KMT2ANPC1EPHX1EPHX2
SCHEMBL8625640 0.93 MAPT (0.46) MEN1KMT2ANPC1EPHX1EPHX2
SCHEMBL8624699 0.85 FPR2 (0.51) MEN1KMT2ANPC1LMNAHTT
SCHEMBL8626573 0.85 RAF1 (0.49) MEN1KMT2ANPC1HTTMAPT
Cyclopropane SCHEMBL8521839 0.83 MAPT (0.44) MEN1KMT2ANPC1LMNAMAPT
SCHEMBL8624551 0.83 TRPV1 (0.51) MEN1KMT2ANPC1LMNAHTT
SCHEMBL8628166 0.82 TRPV1 (0.52) MEN1KMT2ANPC1LMNAHTT
SCHEMBL8627444 0.81 NPC1 (0.56) MEN1KMT2ANPC1EPHX1EPHX2
SCHEMBL8630339 0.81 HTT (0.47) MEN1KMT2ANPC1EPHX2LMNA

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