SCHEMBL8626573

SCHEMBL8626573

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 3/20 0.49
MAPT P10636 3/20 0.46
KDM4E B2RXH2 2/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
HTT P42858 1/20 0.46
SAE1 Q9UBE0 1/20 0.46
UBA2 Q9UBT2 1/20 0.46
KCNJ6 P48051 2/20 0.44
KCNJ3 P48549 2/20 0.44
KCNJ5 P48544 1/20 0.44
CCR2 P41597 1/20 0.44
POLB P06746 1/20 0.43
AKR1C3 P42330 3/20 0.43
KDR P35968 2/20 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
SCHEMBL8624699 0.91 FPR2 (0.51) MAPTKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL8627064 0.90 EPHX1 (0.50) MAPTNPC1RAB9AKMT2AMEN1
SCHEMBL8629884 0.89 EPHX1 (0.52) MAPTNPC1KMT2AMEN1HTT
SCHEMBL8626596 0.85 MEN1 (0.54) MAPTKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL8310022 0.84 CCR2 (0.50) MAPTKMT2AMEN1ALDH1A1CCR2
SCHEMBL8625640 0.82 MAPT (0.46) MAPTNPC1KMT2AMEN1HTT
SCHEMBL8628166 0.80 TRPV1 (0.52) MAPTKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL8625695 0.79 NPC1 (0.47) MAPTKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL8448659 0.77 CNR1 (0.52) MAPTKMT2AMEN1ALDH1A1POLB
SCHEMBL4744609 0.75 NPC1 (0.76) RAF1MAPTKDM4ENPC1RAB9A

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