SCHEMBL23735594

SCHEMBL23735594

N=C(/N=C(\N)c1cc2c3ccccc3c3ccccc3c2cc1F)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 1/20 0.37
PKM P14618 3/20 0.35
F2 P00734 2/20 0.35
F10 P00742 1/20 0.35
F12 P00748 1/20 0.35
F7 P08709 1/20 0.35
F3 P13726 1/20 0.35
PLG P00747 1/20 0.35
BLM P54132 1/20 0.34
PRSS1 P07477 3/20 0.33
PRSS2 P07478 3/20 0.33
PRSS3 P35030 3/20 0.33
KMT2A Q03164 2/20 0.33
C1S P09871 1/20 0.33
RECQL P46063 1/20 0.33
MEN1 O00255 1/20 0.32
MGLL Q99685 1/20 0.31
PLA2G7 Q13093 1/20 0.31
NPC1 O15118 2/20 0.31
RAB9A P51151 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
SCHEMBL22912384 0.78 F2 (0.41) HPRT1PKMF2F10F12
SCHEMBL24689619 0.75 NR4A1 (0.46) PKMF2F10F12F7
SCHEMBL20407094 0.74 PRSS1 (0.38) PKMF2F10F12F7
SCHEMBL20405359 0.73 F2 (0.36) HPRT1PKMF2F10F12
SCHEMBL10252853 0.73 F2 (0.52) PKMF2F10F12F7
SCHEMBL25654536 0.72 KMT2A (0.50) PKMF2F10F12F7
SCHEMBL20407045 0.71 ESR1 (0.36) HPRT1F2PLGPRSS1PRSS2
SCHEMBL20405304 0.71 PRSS1 (0.35) HPRT1F2F10PLGPRSS1
SCHEMBL20405124 0.71 TSHR (0.40) PKMF2F10F12F7
SCHEMBL20407215 0.70 RAB9A (0.50) PKMF2F10F12F7

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-3862350-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME LG Chem, Ltd. (KR) 2021-08-11 EP disclosed