SCHEMBL25022892

SCHEMBL25022892

C1=CC(c2nc(-c3ccccc3)nc(-c3ccc4ccc(-c5nc(-c6ccccc6)nc(-c6ccc(-c7ccccc7)cc6)n5)cc4c3)n2)CC=C1c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
ALDH1A1 P00352 3/20 0.34
HPGD P15428 3/20 0.34
MAPT P10636 2/20 0.34
KDM4E B2RXH2 2/20 0.34
TP53 P04637 1/20 0.34
CYP1A2 P05177 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.32
NTSR1 P30989 1/20 0.31
LMNA P02545 1/20 0.31
GLA P06280 1/20 0.31
ADORA3 P0DMS8 1/20 0.30
ADORA2A P29274 1/20 0.30
ADORA1 P30542 1/20 0.30
BACE1 P56817 1/20 0.30

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
SCHEMBL21188133 0.90 MEN1 (0.43) ESR1ESR2MEN1KMT2AALDH1A1
SCHEMBL25801357 0.89 MEN1 (0.32) MEN1KMT2AALDH1A1HPGDMAPT
SCHEMBL15468611 0.88 MEN1 (0.35) MEN1KMT2AALDH1A1HPGDMAPT
SCHEMBL24658220 0.87 MEN1 (0.33) ESR1ESR2MEN1KMT2AALDH1A1
SCHEMBL19559952 0.86 NPC1 (0.35) MEN1KMT2AALDH1A1HPGDMAPT
SCHEMBL26223360 0.85 CYP1A1 (0.40) MEN1KMT2AALDH1A1HPGDMAPT
SCHEMBL22243889 0.85 NR1I3 (0.38) MEN1KMT2AMAPTTP53SMN1; SMN2
SCHEMBL22842149 0.85 CYP1A2 (0.38) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL20961193 0.85
SCHEMBL19918535 0.85 MEN1 (0.33) MEN1KMT2AALDH1A1HPGDMAPT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4135005-A1 ORGANIC LIGHT-EMITTING DEVICE SFC Co., Ltd. (KR) 2023-02-15 EP disclosed