SCHEMBL24604386

SCHEMBL24604386

c1ccc2c(N(c3cc(C4CCCC4)c4ccc5c(N(c6cccc7ccccc67)c6cccc7c6oc6ccccc67)cc(C6CCCC6)c6ccc3c4c65)c3cccc4c3oc3ccccc34)cccc2c1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP1B1 Q16678 2/20 0.36
CYP1A1 P04798 1/20 0.31
CYP2D6 P10635 1/20 0.31
DUSP3 P51452 1/20 0.31
KDM4E B2RXH2 1/20 0.30
NPC1 O15118 1/20 0.30
NR1I2 O75469 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
AHR P35869 1/20 0.30
HTT P42858 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
ALOX5 P09917 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
SCHEMBL15498136 0.96 ALOX5 (0.32) CYP1B1CYP1A1DUSP3ALOX5
SCHEMBL25700494 0.93 CYP1B1 (0.31) CYP1B1CYP1A1
SCHEMBL4089358 0.88 CYP2D6 (0.31) CYP1B1CYP2D6ALOX5
SCHEMBL4078916 0.88 CYP1B1 (0.34) CYP1B1
SCHEMBL4088975 0.87 CYP1B1 (0.32) CYP1B1CYP2D6KDM4EALOX5
SCHEMBL18101629 0.87 CYP1B1 (0.39) CYP1B1CYP1A1KDM4ENPC1NR1I2
SCHEMBL4079375 0.86 ALOX5 (0.30) ALOX5
SCHEMBL18101701 0.85 CYP1B1 (0.32) CYP1B1CYP2D6KDM4EALOX5
SCHEMBL12206537 0.85 CYP1B1 (0.33) CYP1B1CYP2D6
SCHEMBL17676449 0.85 KMT2A (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230200213-A1 LIGHT-EMITTING DEVICE AND ELECTRONIC APPARATUS INCLUDING THE LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2023-06-22 US disclosed
US-20230200213-A1 LIGHT-EMITTING DEVICE AND ELECTRONIC APPARATUS INCLUDING THE LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2023-06-22 US disclosed
US-20220216434-A1 LIGHT-EMITTING DEVICE AND AN ELECTRONIC APPARATUS COMPRISING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2022-07-07 US disclosed