SCHEMBL19928002

SCHEMBL19928002

c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.42
KMT2A Q03164 7/20 0.42
MCL1 Q07820 2/20 0.39
CYP19A1 P11511 1/20 0.39
DHODH Q02127 1/20 0.38
ALDH1A1 P00352 5/20 0.38
MAPT P10636 5/20 0.38
NPC1 O15118 2/20 0.38
LMNA P02545 2/20 0.38
TSHR P16473 2/20 0.38
MAPK1 P28482 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
ALOX12 P18054 1/20 0.38
ADORA1 P30542 2/20 0.37
ADORA3 P0DMS8 1/20 0.37
ADORA2B P29275 1/20 0.37
HPGD P15428 3/20 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
SCHEMBL19928003 0.97 MEN1 (0.40) MEN1KMT2AMCL1CYP19A1DHODH
SCHEMBL17228152 0.96 TSPO (0.40) MEN1KMT2AMCL1CYP19A1DHODH
SCHEMBL25899011 0.96 TSPO (0.40) MEN1KMT2AMCL1CYP19A1DHODH
SCHEMBL15459662 0.96 TSPO (0.40) MEN1KMT2AMCL1CYP19A1DHODH
SCHEMBL20771508 0.95 CYP19A1 (0.41) MEN1KMT2AMCL1CYP19A1DHODH
SCHEMBL11998236 0.94 KDM4E (0.39) MEN1KMT2AMCL1CYP19A1DHODH
SCHEMBL11998238 0.94 KDM4E (0.39) MEN1KMT2AMCL1CYP19A1DHODH
SCHEMBL30709308 0.94 CYP19A1 (0.41) MEN1KMT2AMCL1CYP19A1DHODH
SCHEMBL22126321 0.94 CYP19A1 (0.41) MEN1KMT2AMCL1CYP19A1DHODH
SCHEMBL13203076 0.94 CYP19A1 (0.37) MEN1KMT2AMCL1CYP19A1DHODH

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
US-9911924-B2 Material for organic optoelectronic device, organic light emitting diode including the same, and display including the organic light emitting diode SAMSUNG ELECTRONICS CO., LTD. (KR) 2018-03-06 US disclosed
US-9911924-B2 Material for organic optoelectronic device, organic light emitting diode including the same, and display including the organic light emitting diode SAMSUNG ELECTRONICS CO., LTD. (KR) 2018-03-06 US disclosed