SCHEMBL7971545

SCHEMBL7971545

O=C(O)c1cccc2c1OCC(=O)N2Cc1cncn1Cc1ccc(-c2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FNTA P49354 13/20 0.47
PGGT1B P53609 11/20 0.47
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
HTR6 P50406 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
FNTB P49356 5/20 0.41
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
CHRM1 P11229 2/20 0.37

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
SCHEMBL7967527 0.92 FNTA (0.44) FNTAPGGT1BMEN1LMNAMAPT
SCHEMBL7971733 0.91 KMT2A (0.41) FNTAPGGT1BMEN1LMNAMAPT
SCHEMBL7968423 0.82 FNTA (0.49) FNTAPGGT1BFNTBCYP11B1CYP11B2
SCHEMBL7971101 0.74 FNTA (0.48) FNTAPGGT1BFNTBCYP11B1CYP11B2
SCHEMBL7968966 0.73 FNTA (0.44) FNTAPGGT1BFNTBCYP11B1CYP11B2
SCHEMBL7971638 0.73 FNTA (0.47) FNTAPGGT1BMAPTFNTBCYP11B1
SCHEMBL7984772 0.71 FNTA (0.44) FNTAPGGT1BFNTB
SCHEMBL683433 0.69 AGTR1 (0.54) CYP11B1CYP11B2
SCHEMBL7971542 0.69 CPA1 (0.39) FNTAPGGT1BMEN1LMNAMAPT
SCHEMBL7974147 0.68 FNTA (0.42) FNTAPGGT1BFNTBCYP11B1CYP11B2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001009127-A1 BENZOXAZINE DERIVATIVES AND THEIR THERAPEUTIC USE AVENTIS PHARMA S.A. (FR) 2001-02-08 WO disclosed