SCHEMBL8628166

SCHEMBL8628166

O=C(Nc1ccc2c(c1)c(O)nn2Cc1ccc(Cl)c(Cl)c1)Nc1cccc2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 10/20 0.52
MAPT P10636 5/20 0.48
NPC1 O15118 4/20 0.48
RAB9A P51151 4/20 0.48
KDM4E B2RXH2 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
POLB P06746 4/20 0.47
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
GAA P10253 1/20 0.45
ALDH1A1 P00352 1/20 0.43
NFKB1 P19838 1/20 0.43
GFER P55789 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 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
SCHEMBL8624551 0.92 TRPV1 (0.51) TRPV1MAPTNPC1RAB9AKDM4E
SCHEMBL8627064 0.87 EPHX1 (0.50) MAPTNPC1RAB9APOLBMEN1
SCHEMBL8042523 0.85 NPSR1 (0.51) TRPV1MAPTNPC1RAB9AKDM4E
SCHEMBL8629884 0.85 EPHX1 (0.52) MAPTNPC1MEN1KMT2ALMNA
SCHEMBL8626596 0.82 MEN1 (0.54) MAPTNPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL8626573 0.80 RAF1 (0.49) MAPTNPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL8625640 0.78 MAPT (0.46) MAPTNPC1MEN1KMT2ALMNA
SCHEMBL8625695 0.77 NPC1 (0.47) MAPTNPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL8307879 0.72 ABCB11 (0.47) TRPV1MAPTSMN1; SMN2POLBKMT2A
SCHEMBL8624699 0.71 FPR2 (0.51) MAPTNPC1RAB9AKDM4ESMN1; SMN2

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