SCHEMBL21699007

SCHEMBL21699007

C1=CC(c2ccc3c4ccccc4c4ccccc4c3c2)CC(c2nc(-c3ccccc3)cc(-c3ccccc3)n2)=C1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.33
KMT2A Q03164 6/20 0.33
HPGD P15428 5/20 0.33
MAPT P10636 5/20 0.33
ALDH1A1 P00352 4/20 0.33
KDM4E B2RXH2 4/20 0.33
ADORA1 P30542 4/20 0.33
ADORA2A P29274 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
NTSR1 P30989 1/20 0.33
ACHE P22303 1/20 0.33
LMNA P02545 4/20 0.32
AGTR1 P30556 1/20 0.31
TSHR P16473 1/20 0.31
ATM Q13315 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
DHODH Q02127 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
PDE10A Q9Y233 1/20 0.31

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
SCHEMBL24594486 0.90 KDM4E (0.33) MEN1KMT2AHPGDMAPTALDH1A1
SCHEMBL24594544 0.84 KDM4E (0.36) MEN1KMT2AHPGDMAPTALDH1A1
SCHEMBL17854713 0.82 MEN1 (0.31) MEN1KMT2AHPGDMAPTALDH1A1
SCHEMBL23050430 0.81 MEN1 (0.40) MEN1KMT2AHPGDMAPTALDH1A1
SCHEMBL31152397 0.78 VCP (0.40) MEN1KMT2AHPGDMAPTALDH1A1
SCHEMBL22547539 0.74 MEN1 (0.31) MEN1KMT2AHPGDMAPTALDH1A1
SCHEMBL22664867 0.73 ACACA (0.33) MEN1KMT2AHPGDMAPTALDH1A1
SCHEMBL20663634 0.72 MEN1 (0.33) MEN1KMT2AHPGDMAPTALDH1A1
SCHEMBL23470543 0.72 MEN1 (0.33) MEN1KMT2AHPGDMAPTALDH1A1
SCHEMBL24594213 0.70 ACACA (0.32) MEN1KMT2AHPGDMAPTALDH1A1

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-4024495-A2 COMPOSITION AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME Samsung Electronics Co., Ltd. (KR) 2022-07-06 EP disclosed
EP-3451403-B1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG ELECTRONICS CO LTD (KR) 2020-02-12 EP disclosed