SCHEMBL8627064

SCHEMBL8627064

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.50
EPHX2 P34913 2/20 0.50
MEN1 O00255 6/20 0.46
KMT2A Q03164 6/20 0.46
NPC1 O15118 3/20 0.46
LMNA P02545 2/20 0.46
HTT P42858 2/20 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
ADRA1A P35348 1/20 0.46
OPRM1 P35372 1/20 0.46
PDE3A Q14432 1/20 0.46
NLRP3 Q96P20 1/20 0.46
P2RY1 P47900 1/20 0.45
MAPT P10636 4/20 0.45
SLC2A1 P11166 1/20 0.44
SCD O00767 1/20 0.44
CA2 P00918 1/20 0.44

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 0.95 EPHX1 (0.52) EPHX1EPHX2MEN1KMT2ANPC1
SCHEMBL8626596 0.94 MEN1 (0.54) EPHX1EPHX2MEN1KMT2ANPC1
SCHEMBL8626573 0.90 RAF1 (0.49) MEN1KMT2ANPC1HTTMAPT
SCHEMBL8628166 0.87 TRPV1 (0.52) MEN1KMT2ANPC1LMNAHTT
SCHEMBL8625640 0.87 MAPT (0.46) EPHX1EPHX2MEN1KMT2ANPC1
SCHEMBL8625695 0.86 NPC1 (0.47) EPHX1EPHX2MEN1KMT2ANPC1
SCHEMBL8307879 0.80 ABCB11 (0.47) KMT2ALMNAHTTMAPTPOLB
SCHEMBL8624699 0.80 FPR2 (0.51) MEN1KMT2ANPC1LMNAHTT
SCHEMBL8443181 0.78 CCR2 (0.47) KMT2ALMNAMAPTPOLBMCL1
SCHEMBL8624551 0.77 TRPV1 (0.51) MEN1KMT2ANPC1LMNAHTT

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