SCHEMBL21387955

SCHEMBL21387955

Cc1ccccc1-c1nc(-c2cccc(C(C3=CCCC=C3)(c3ccccc3)c3ccccc3)c2)nc(-c2cccc(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2)n1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.33
DPP4 P27487 1/20 0.31
CYP1A2 P05177 3/20 0.30
CYP2D6 P10635 3/20 0.30
CLK4 Q9HAZ1 3/20 0.30
CYP2C19 P33261 2/20 0.30
TSHR P16473 2/20 0.30
MAPK1 P28482 2/20 0.30
CYP3A4 P08684 2/20 0.30
USP2 O75604 1/20 0.30
ALOX15 P16050 1/20 0.30
HSD17B10 Q99714 1/20 0.30
ALDH1A1 P00352 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL21391744 0.85 NR1H4 (0.42) NR1H4DPP4CYP1A2CYP2D6CLK4
SCHEMBL26344133 0.80 AGTR1 (0.34) ALDH1A1L3MBTL1
SCHEMBL21387954 0.80
SCHEMBL22624250 0.77 NR1H4 (0.37) NR1H4DPP4CYP1A2CYP2D6CLK4
SCHEMBL26344185 0.77 AGTR1 (0.33) ALDH1A1L3MBTL1
SCHEMBL27341977 0.77 NR1H4 (0.34) NR1H4
SCHEMBL24252993 0.76 NR1H4 (0.36) NR1H4DPP4CYP1A2CYP2D6CLK4
SCHEMBL21391604 0.76 NR1H4 (0.44) NR1H4DPP4CYP1A2CYP2D6CLK4
SCHEMBL27335705 0.74 NR1H4 (0.36) NR1H4CYP1A2CYP2D6CLK4TSHR
SCHEMBL21391762 0.73 L3MBTL1 (0.42) DPP4ALDH1A1L3MBTL1

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-3544076-A1 ORGANIC LIGHT-EMITTING DEVICE AND ELECTRONIC APPARATUS INCLUDING THE SAME Samsung Display Co., Ltd. (KR) 2019-09-25 EP disclosed