SCHEMBL8625692

SCHEMBL8625692

COc1ccc2c(c1)c(O)nn2Cc1cccnc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.49
GABRA5 P31644 1/20 0.49
KDM4E B2RXH2 1/20 0.46
GFER P55789 1/20 0.46
SRC P12931 1/20 0.45
ALDH1A1 P00352 2/20 0.45
MEN1 O00255 1/20 0.45
PKM P14618 1/20 0.45
RAB9A P51151 1/20 0.45
KMT2A Q03164 1/20 0.45
TSHR P16473 1/20 0.45
TDP1 Q9NUW8 1/20 0.43
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
CFTR P13569 1/20 0.41
CYP11B1 P15538 3/20 0.41
CYP11B2 P19099 3/20 0.41
CYP17A1 P05093 2/20 0.41
CYP3A4 P08684 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL8627206 0.85 BUB1 (0.44) KDM4EALDH1A1KMT2AMAOAMAOB
SCHEMBL8448659 0.83 CNR1 (0.52) ALDH1A1MEN1PKMKMT2ATSHR
SCHEMBL8443748 0.81 PLA2G2A (0.52) ALDH1A1MEN1PKMKMT2ATSHR
SCHEMBL8448874 0.80 MAPT (0.49) ALDH1A1MEN1PKMKMT2ATSHR
SCHEMBL8450448 0.80 AKR1C3 (0.51) RAB9AKMT2ACYP3A4PDE5A
SCHEMBL8447799 0.80 FAAH (0.49) ALDH1A1MEN1PKMKMT2AGAA
SCHEMBL8446764 0.79 CNR1 (0.58) KMT2AMAOBSMN1; SMN2PDE5A
SCHEMBL6966885 0.79 KDM4E (0.50) KDM4EMEN1KMT2ATSHRCYP3A4
SCHEMBL8441605 0.79 PTGS2 (0.50) KMT2ATSHRPDE5A
SCHEMBL8445101 0.78 NPBWR1 (0.46) KDM4EALDH1A1MEN1PKMRAB9A

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