SCHEMBL29540464

SCHEMBL29540464

c1ccc2c(c1)c1ccccc1n2CN1CCOCC1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.75
KDM4E B2RXH2 3/20 0.75
TSHR P16473 2/20 0.75
ALOX12 P18054 1/20 0.75
L3MBTL1 Q9Y468 1/20 0.75
ATM Q13315 2/20 0.62
HTT P42858 2/20 0.61
TP53 P04637 1/20 0.61
MAPK1 P28482 1/20 0.61
CYP1A2 P05177 1/20 0.57
CYP2C19 P33261 1/20 0.57
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
ALDH1A1 P00352 3/20 0.55
NPC1 O15118 1/20 0.53
USP2 O75604 1/20 0.53
LMNA P02545 1/20 0.53
RAB9A P51151 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
POLB P06746 2/20 0.52

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
SCHEMBL148312 1.00 MAPT (0.75) MAPTKDM4ETSHRALOX12L3MBTL1
SCHEMBL18028054 0.85 TSHR (0.64) MAPTKDM4ETSHRALOX12L3MBTL1
SCHEMBL30040512 0.82 CYP1A2 (0.64) MAPTKDM4ETSHRALOX12L3MBTL1
SCHEMBL22023408 0.82 CYP1A2 (0.64) MAPTKDM4ETSHRALOX12L3MBTL1
SCHEMBL10067477 0.81 CYP1A2 (0.61) MAPTKDM4ETSHRALOX12L3MBTL1
SCHEMBL13305296 0.81 DRD3 (0.63) MAPTKDM4ETSHRALOX12L3MBTL1
SCHEMBL13305275 0.81 DRD3 (0.68) MAPTKDM4ETSHRALOX12L3MBTL1
SCHEMBL18010357 0.80 HTR7 (0.64) MAPTKDM4ETSHRALOX12L3MBTL1
SCHEMBL10704403 0.76 ABCB1 (0.60) TSHRL3MBTL1ATMALDH1A1SMN1; SMN2
SCHEMBL17125446 0.76 MAPT (0.68) MAPTKDM4ETSHRALOX12L3MBTL1

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
CN-109765651-B Composite retardation plate, optical laminate, and image display device 住友化学株式会社 2022-05-03 CN disclosed
CN-109765652-B Composite retardation plate, optical laminate, and image display device 住友化学株式会社 2022-03-25 CN disclosed