SCHEMBL9313348

SCHEMBL9313348

N#CCc1nccn1C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.40
MEN1 O00255 5/20 0.40
CYP11B1 P15538 2/20 0.37
CYP11B2 P19099 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.33
KDM4E B2RXH2 1/20 0.32
KCNA3 P22001 4/20 0.32
MAPT P10636 2/20 0.32
ATM Q13315 1/20 0.32
KCNN4 O15554 2/20 0.31
CYP2D6 P10635 3/20 0.31
DRD2 P14416 2/20 0.31
DRD4 P21917 2/20 0.31
OPRM1 P35372 2/20 0.31
DRD3 P35462 2/20 0.31
FLT3 P36888 1/20 0.31
CYP1A2 P05177 2/20 0.31
CYP3A4 P08684 2/20 0.31
CYP2C9 P11712 2/20 0.31
MAPK1 P28482 2/20 0.31

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
SCHEMBL4019670 0.85 KMT2A (0.38) KMT2AMEN1CYP11B1CYP11B2SMN1; SMN2
SCHEMBL6467815 0.79 KMT2A (0.43) KMT2AMEN1CYP11B1CYP11B2SMN1; SMN2
SCHEMBL6948425 0.79 KMT2A (0.43) KMT2AMEN1CYP11B1CYP11B2SMN1; SMN2
SCHEMBL647893 0.79 KMT2A (0.46) KMT2AMEN1CYP11B1CYP11B2SMN1; SMN2
SCHEMBL5327785 0.79 KMT2A (0.43) KMT2AMEN1CYP11B1CYP11B2SMN1; SMN2
SCHEMBL8188378 0.79 KMT2A (0.46) KMT2AMEN1CYP11B1CYP11B2KCNA3
SCHEMBL1845371 0.79 KMT2A (0.43) KMT2AMEN1CYP11B1CYP11B2SMN1; SMN2
SCHEMBL1528204 0.78 KMT2A (0.40) KMT2AMEN1CYP11B1CYP11B2SMN1; SMN2
SCHEMBL1528022 0.76 KMT2A (0.44) KMT2AMEN1CYP11B1CYP11B2SMN1; SMN2
SCHEMBL27544681 0.76 KMT2A (0.41) KMT2AMEN1CYP11B1CYP11B2SMN1; SMN2

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-5286721-A Antimicrobial agents FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-02-15 US disclosed
WO-1992006978-A1 1-AZABICYCLO[3.2.0]HEPT-2-ENE-2-CARBOXYLIC ACID COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-04-30 WO disclosed