SCHEMBL7746252

SCHEMBL7746252

O=C1NOc2ccccc2C1c1cc[nH]n1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.33
NISCH Q9Y2I1 1/20 0.31
CYP2C9 P11712 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TP53 P04637 1/20 0.30
CYP3A4 P08684 1/20 0.30
MAPT P10636 1/20 0.30
PKM P14618 1/20 0.30
HPGD P15428 1/20 0.30
ALOX15 P16050 1/20 0.30
ALOX12 P18054 1/20 0.30
KMT2A Q03164 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL28247006 0.79 NISCH (0.45) ATMNISCHCYP2C9MEN1ALDH1A1
SCHEMBL30255446 0.78 ALDH1A1 (0.39) ATMNISCHCYP2C9KDM4EMEN1
SCHEMBL2406500 0.78 ALDH1A1 (0.39) ATMNISCHCYP2C9KDM4EMEN1
SCHEMBL30262472 0.74 LMNA (0.39) ATMCYP2C9KDM4EMEN1ALDH1A1
SCHEMBL9816846 0.74 LMNA (0.39) ATMCYP2C9KDM4EMEN1ALDH1A1
SCHEMBL5179080 0.72 CYP2C9 (0.34) ATMNISCHCYP2C9KDM4EMEN1
SCHEMBL7688752 0.72 CYP2C9 (0.32) ATMCYP2C9MEN1KMT2A
SCHEMBL1771262 0.70 ANPEP (0.37) ATMNISCHCYP2C9KDM4EMEN1
SCHEMBL3397792 0.70 HTR2A (0.38) KDM4EHSD17B10
SCHEMBL1871722 0.68 PARP1 (0.35) ATMCYP2C9KDM4EMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001019820-A1 SUBSTITUTED PYRAZOL-3-YLBENZOXAZINONES BASF AKTIENGESELLSCHAFT (DE) 2001-03-22 WO claimed
WO-2001019820-A1 SUBSTITUTED PYRAZOL-3-YLBENZOXAZINONES BASF AKTIENGESELLSCHAFT (DE) 2001-03-22 WO disclosed
WO-2001019820-A1 SUBSTITUTED PYRAZOL-3-YLBENZOXAZINONES BASF AKTIENGESELLSCHAFT (DE) 2001-03-22 WO disclosed