SCHEMBL8624699

SCHEMBL8624699

COc1ccc(NC(=O)Nc2ccc3c(c2)c(O)nn3Cc2ccc(Cl)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 3/20 0.51
CNR1 P21554 2/20 0.51
KMT2A Q03164 5/20 0.48
MAPT P10636 4/20 0.48
MEN1 O00255 3/20 0.48
ALDH1A1 P00352 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
NPC1 O15118 1/20 0.48
HTT P42858 1/20 0.48
RAB9A P51151 1/20 0.48
SAE1 Q9UBE0 1/20 0.48
UBA2 Q9UBT2 1/20 0.48
KDR P35968 1/20 0.48
GRIK1 P39086 1/20 0.47
KCNJ6 P48051 2/20 0.46
KCNJ3 P48549 2/20 0.46
KCNJ5 P48544 1/20 0.46
IDH1 O75874 1/20 0.46
KDM4E B2RXH2 2/20 0.46
POLB P06746 1/20 0.46

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
SCHEMBL8625640 0.92 MAPT (0.46) CNR1KMT2AMAPTMEN1NPC1
SCHEMBL8626573 0.91 RAF1 (0.49) KMT2AMAPTMEN1ALDH1A1SMN1; SMN2
SCHEMBL8629884 0.85 EPHX1 (0.52) CNR1KMT2AMAPTMEN1NPC1
SCHEMBL8626596 0.85 MEN1 (0.54) CNR1KMT2AMAPTMEN1ALDH1A1
SCHEMBL8448874 0.83 MAPT (0.49) CNR1KMT2AMAPTMEN1ALDH1A1
SCHEMBL8448659 0.80 CNR1 (0.52) CNR1KMT2AMAPTMEN1ALDH1A1
SCHEMBL8627064 0.80 EPHX1 (0.50) KMT2AMAPTMEN1NPC1HTT
Cyclopropane SCHEMBL8521839 0.80 MAPT (0.44) KMT2AMAPTMEN1SMN1; SMN2NPC1
SCHEMBL8624551 0.79 TRPV1 (0.51) KMT2AMAPTMEN1ALDH1A1SMN1; SMN2
SCHEMBL8627444 0.78 NPC1 (0.56) KMT2AMAPTMEN1ALDH1A1SMN1; 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