SCHEMBL21022652

SCHEMBL21022652

N#Cc1ccc(-n2c3ccccc3c3ccccc32)cc1-c1cccc(-n2c3ccccc3c3cc(-c4ccccc4)ccc32)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ATM Q13315 2/20 0.40
KDM4E B2RXH2 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GABRA1 P14867 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36
NR3C1 P04150 1/20 0.35
TSPO P30536 1/20 0.35
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
FAAH O00519 1/20 0.34
HSP90AA1 P07900 1/20 0.34
PKM P14618 1/20 0.34

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
SCHEMBL21022458 1.00 ALDH1A1 (0.40) ALDH1A1LMNAHPGDMAPK1SMN1; SMN2
SCHEMBL17930778 0.94 KDM4E (0.46) ALDH1A1LMNAHPGDMAPK1SMN1; SMN2
SCHEMBL22154070 0.94 ALDH1A1 (0.36) ALDH1A1LMNAHPGDMAPK1SMN1; SMN2
SCHEMBL17930777 0.93 KDM4E (0.45) ALDH1A1LMNAHPGDMAPK1SMN1; SMN2
SCHEMBL21131769 0.93 ALDH1A1 (0.44) ALDH1A1LMNAHPGDMAPK1SMN1; SMN2
SCHEMBL21022459 0.93 ALDH1A1 (0.44) ALDH1A1LMNAHPGDMAPK1SMN1; SMN2
SCHEMBL21022651 0.91 ALDH1A1 (0.43) ALDH1A1LMNAHPGDMAPK1SMN1; SMN2
SCHEMBL17930791 0.91 KDM4E (0.43) ALDH1A1LMNAHPGDMAPK1SMN1; SMN2
SCHEMBL17930787 0.89 ALDH1A1 (0.42) ALDH1A1LMNAHPGDMAPK1SMN1; SMN2
SCHEMBL18347507 0.89 GABRG2 (0.44) ALDH1A1LMNAHPGDMAPK1ATM

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-3490023-A1 COMPOSITION, THIN FILM INCLUDING THE COMPOSITION, AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE THIN FILM Samsung Electronics Co., Ltd. (KR) 2019-05-29 EP disclosed
US-20190157570-A1 COMPOSITION, THIN FILM INCLUDING THE COMPOSITION, AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE THIN FILM SAMSUNG ELECTRONICS CO LTD (KR) 2019-05-23 US disclosed