SCHEMBL20405124

SCHEMBL20405124

Cc1c(/C(N)=N/C(=N)c2ccccc2)ccc2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2A6 P11509 1/20 0.40
RAB9A P51151 3/20 0.38
NPC1 O15118 2/20 0.38
F2 P00734 4/20 0.38
PLG P00747 2/20 0.38
L3MBTL1 Q9Y468 3/20 0.37
HPGD P15428 2/20 0.37
CYP3A4 P08684 1/20 0.37
MAPK1 P28482 1/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
ATM Q13315 1/20 0.37
HIF1A Q16665 1/20 0.37
HSD17B10 Q99714 1/20 0.37
WDR5 P61964 1/20 0.36
F10 P00742 1/20 0.35
F12 P00748 1/20 0.35
F7 P08709 1/20 0.35

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
SCHEMBL24689619 0.81 NR4A1 (0.46) RAB9ANPC1F2PLGL3MBTL1
SCHEMBL20407215 0.76 RAB9A (0.50) RAB9ANPC1F2HPGDF10
SCHEMBL20407185 0.76 GAA (0.38) CYP1A2L3MBTL1HPGDHSD17B10KDM4E
SCHEMBL24972852 0.76 CASP3 (0.47) TSHRCYP1A2CYP2A6RAB9ANPC1
SCHEMBL25654536 0.75 KMT2A (0.50) CYP1A2CYP2A6RAB9ANPC1F2
SCHEMBL20407045 0.74 ESR1 (0.36) CYP1A2RAB9ANPC1F2PLG
SCHEMBL24914217 0.73 ALDH1A1 (0.36) TSHRF2PLGHPGDCYP3A4
SCHEMBL10252853 0.73 F2 (0.52) TSHRRAB9ANPC1F2L3MBTL1
SCHEMBL22061211 0.72 HPGD (0.46) RAB9ANPC1F2PLGL3MBTL1
SCHEMBL24914080 0.72 PLG (0.38) RAB9ANPC1F2PLGL3MBTL1

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-3351536-A1 ORGANIC LIGHT-EMITTING DEVICE LG Chem, Ltd. (KR) 2018-07-25 EP disclosed