SCHEMBL24914080

SCHEMBL24914080

N=C(/N=C(\N)c1cc2ccccc2cc1Br)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLG P00747 5/20 0.38
F2 P00734 4/20 0.38
PLAU P00749 5/20 0.38
PRSS1 P07477 3/20 0.38
KLK1 P06870 3/20 0.38
KLKB1 P03952 1/20 0.38
GRIN1 Q05586 1/20 0.37
GRIN2B Q13224 1/20 0.37
PLAT P00750 3/20 0.36
F10 P00742 2/20 0.36
F12 P00748 1/20 0.36
F7 P08709 1/20 0.36
F3 P13726 1/20 0.36
PKM P14618 1/20 0.36
BLM P54132 1/20 0.35
KMT2A Q03164 3/20 0.34
C1S P09871 2/20 0.34
PRSS2 P07478 2/20 0.34
PRSS3 P35030 2/20 0.34
RECQL P46063 1/20 0.34

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
SCHEMBL24972852 0.77 CASP3 (0.47) PLGF2PLAUPRSS1KLK1
SCHEMBL24689619 0.76 NR4A1 (0.46) PLGF2F10F12F7
SCHEMBL20405359 0.74 F2 (0.36) PLGF2PLAUPRSS1KLK1
SCHEMBL10252853 0.74 F2 (0.52) F2PRSS1GRIN1GRIN2BF10
SCHEMBL23654435 0.73 PLAU (0.58) PLGF2PLAUPRSS1KLK1
SCHEMBL24551121 0.73 PLAU (0.53) PLGF2PLAUPRSS1KLK1
SCHEMBL23822815 0.73 PLAU (0.53) PLGF2PLAUPRSS1KLK1
SCHEMBL20405304 0.72 PRSS1 (0.35) PLGF2PLAUPRSS1KLK1
SCHEMBL22373743 0.72 PLAU (0.61) PLGF2PLAUPRSS1KLK1
SCHEMBL24031192 0.72 PLAU (0.47) PLGF2PLAUPRSS1KLK1

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
EP-3351537-B1 COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LG CHEMICAL LTD (KR) 2023-01-18 EP disclosed