SCHEMBL7971733

SCHEMBL7971733

Cc1ccc(Cn2cncc2CN2C(=O)COc3c(C(=O)O)cccc32)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
FNTA P49354 9/20 0.41
FNTB P49356 7/20 0.41
HTR6 P50406 1/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
TP53 P04637 1/20 0.38
POLB P06746 1/20 0.38
PGGT1B P53609 6/20 0.38
CYP11B1 P15538 2/20 0.37
CYP11B2 P19099 2/20 0.37
GAA P10253 1/20 0.37
SLC5A2 P31639 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36

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) KMT2AMEN1LMNAMAPTFNTA
SCHEMBL7971545 0.91 FNTA (0.47) KMT2AMEN1LMNAMAPTFNTA
SCHEMBL7971638 0.82 FNTA (0.47) MAPTFNTAFNTBPGGT1BCYP11B1
SCHEMBL7974147 0.77 FNTA (0.42) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7971101 0.74 FNTA (0.48) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7968423 0.73 FNTA (0.49) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7971118 0.70 CYP11B1 (0.42) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7968966 0.70 FNTA (0.44) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7971730 0.69 CPA1 (0.37) KMT2AALDH1A1TP53POLBGAA
SCHEMBL7972164 0.68 ITGA4 (0.40) MAPTFNTAFNTBALDH1A1CYP11B1

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