SCHEMBL20937604

SCHEMBL20937604

c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccnc4)c(-n4c5cc(-n6c7ccccc7c7ccccc76)ccc5c5ccc(-n6c7ccccc7c7ccccc76)cc54)c3)n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.41
MAPT P10636 9/20 0.41
CYP3A4 P08684 4/20 0.39
CYP1A2 P05177 3/20 0.39
CLK4 Q9HAZ1 3/20 0.39
ALDH1A1 P00352 2/20 0.39
TSHR P16473 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C9 P11712 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
GLA P06280 1/20 0.39
HSD17B10 Q99714 2/20 0.38
USP2 O75604 2/20 0.38
LMNA P02545 2/20 0.38
MAPK1 P28482 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
MAPK14 Q16539 1/20 0.37
CYP17A1 P05093 1/20 0.37
CYP11B2 P19099 1/20 0.37

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
SCHEMBL20937370 0.94 CYP11B1 (0.39) CYP11B1MAPTCYP3A4CYP1A2CLK4
SCHEMBL20937591 0.93 CYP11B1 (0.41) CYP11B1MAPTCYP3A4CYP1A2CLK4
SCHEMBL20937592 0.93 CYP11B1 (0.41) CYP11B1MAPTCYP3A4CYP1A2CLK4
SCHEMBL20937599 0.92 CYP11B1 (0.42) CYP11B1MAPTCYP3A4CYP1A2CLK4
SCHEMBL20937543 0.91 CYP11B1 (0.41) CYP11B1MAPTCYP3A4CYP1A2CLK4
SCHEMBL20937057 0.91 CYP11B1 (0.43) CYP11B1MAPTCYP3A4CYP1A2CLK4
SCHEMBL20937367 0.91 CYP11B1 (0.43) CYP11B1MAPTCYP3A4CYP1A2CLK4
SCHEMBL20937537 0.90 CYP11B1 (0.42) CYP11B1MAPTCYP3A4CYP1A2CLK4
SCHEMBL20937369 0.90 CYP11B1 (0.44) CYP11B1MAPTCYP3A4CYP1A2CLK4
SCHEMBL25981550 0.90 L3MBTL1 (0.40) MAPTALDH1A1TSHRMEN1KMT2A

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
EP-3697865-B1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO LTD (KR) 2022-12-28 EP disclosed
WO-2019076844-A1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2019-04-25 WO disclosed