SCHEMBL23920385

SCHEMBL23920385

c1ccc2cc(-c3nc(-c4ccc5c(c4)oc4ccccc45)nc(-c4cccc5ccccc45)n3)ccc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 2/20 0.41
ALDH1A1 P00352 6/20 0.40
MAPT P10636 5/20 0.40
CYP1A1 P04798 1/20 0.40
CYP1B1 Q16678 1/20 0.40
HCRTR1 O43613 1/20 0.40
AHR P35869 1/20 0.40
DUSP3 P51452 1/20 0.39
KDM4E B2RXH2 4/20 0.39
HPGD P15428 4/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HSD17B10 Q99714 4/20 0.39
ATM Q13315 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
RAB9A P51151 1/20 0.39
GAA P10253 1/20 0.38
ALOX5 P09917 1/20 0.38
TP53 P04637 1/20 0.38

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
SCHEMBL26271443 0.96 HCRTR1 (0.40) PIM1ALDH1A1MAPTCYP1A1CYP1B1
SCHEMBL26271583 0.96 ALDH1A1 (0.40) PIM1ALDH1A1MAPTCYP1A1CYP1B1
SCHEMBL26271462 0.96 HCRTR1 (0.40) PIM1ALDH1A1MAPTCYP1A1CYP1B1
SCHEMBL26260478 0.96 HCRTR1 (0.41) PIM1ALDH1A1MAPTCYP1A1CYP1B1
SCHEMBL23759552 0.96 CYP1A1 (0.39) PIM1ALDH1A1MAPTCYP1A1CYP1B1
SCHEMBL23385397 0.95 ALOX5 (0.41) PIM1ALDH1A1MAPTCYP1A1CYP1B1
SCHEMBL25460028 0.93 PIM1 (0.40) PIM1ALDH1A1MAPTCYP1A1CYP1B1
SCHEMBL26047581 0.93 HCRTR1 (0.39) ALDH1A1MAPTHCRTR1AHRDUSP3
SCHEMBL26271603 0.93 PIM1 (0.40) PIM1ALDH1A1MAPTCYP1A1CYP1B1
SCHEMBL26047789 0.93 AHR (0.41) ALDH1A1MAPTHCRTR1AHRDUSP3

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
US-20210320263-A1 ORGANIC ELECTROLUMINESCENT COMPOUND, A PLURALITY OF HOST MATERIALS, AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME DUPONT SPECIALTY MATERIALS KOREA LTD. (KR) 2021-10-14 US disclosed