SCHEMBL7971638

SCHEMBL7971638

Cc1ccc(Cn2cncc2CN2CCOc3c(C(=O)O)cccc32)cc1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FNTA P49354 15/20 0.47
FNTB P49356 15/20 0.47
PGGT1B P53609 6/20 0.38
CYP11B1 P15538 2/20 0.38
CYP11B2 P19099 2/20 0.38
CYP3A4 P08684 1/20 0.36
FABP4 P15090 1/20 0.36
MAPT P10636 1/20 0.35

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
SCHEMBL7971101 0.91 FNTA (0.48) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7968423 0.91 FNTA (0.49) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7968966 0.87 FNTA (0.44) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7974147 0.83 FNTA (0.42) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7972164 0.83 ITGA4 (0.40) FNTAFNTBCYP11B1CYP11B2MAPT
SCHEMBL7971733 0.82 KMT2A (0.41) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL16160199 0.79 FNTA (0.41) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7971118 0.76 CYP11B1 (0.42) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7967527 0.74 FNTA (0.44) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7971545 0.73 FNTA (0.47) FNTAFNTBPGGT1BCYP11B1CYP11B2

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