SCHEMBL20937367

SCHEMBL20937367

c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccnc4)c(-n4c5cc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)ccc5c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc54)c3)n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 7/20 0.43
CYP11B2 P19099 6/20 0.41
CYP3A4 P08684 5/20 0.41
CYP17A1 P05093 5/20 0.41
ALDH1A1 P00352 3/20 0.40
TSHR P16473 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2D6 P10635 2/20 0.40
CYP2C9 P11712 2/20 0.40
CLK4 Q9HAZ1 2/20 0.40
MEN1 O00255 1/20 0.40
GLA P06280 1/20 0.40
KMT2A Q03164 1/20 0.40
HPGD P15428 2/20 0.40
HSD17B10 Q99714 3/20 0.40
MAPT P10636 2/20 0.40
USP2 O75604 1/20 0.40
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL20937584 0.97 CYP11B1 (0.42) CYP11B1CYP11B2CYP3A4CYP17A1ALDH1A1
SCHEMBL20937599 0.94 CYP11B1 (0.42) CYP11B1CYP11B2CYP3A4CYP17A1ALDH1A1
SCHEMBL20937586 0.92 MAPT (0.42) CYP11B1CYP3A4CYP17A1ALDH1A1TSHR
SCHEMBL20937433 0.91 CYP11B1 (0.43) CYP11B1CYP11B2CYP3A4CYP17A1ALDH1A1
SCHEMBL20937604 0.91 CYP11B1 (0.41) CYP11B1CYP11B2CYP3A4CYP17A1ALDH1A1
SCHEMBL20937375 0.90 CYP11B1 (0.43) CYP11B1CYP11B2CYP3A4CYP17A1ALDH1A1
SCHEMBL20937369 0.89 CYP11B1 (0.44) CYP11B1CYP11B2CYP3A4ALDH1A1TSHR
SCHEMBL20937532 0.89 CYP11B1 (0.41) CYP11B1CYP11B2CYP3A4CYP17A1ALDH1A1
SCHEMBL20937583 0.89 KIF11 (0.44) CYP11B1CYP11B2CYP3A4ALDH1A1TSHR
SCHEMBL20937581 0.89 MAPT (0.40) CYP11B1CYP11B2CYP3A4ALDH1A1TSHR

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