SCHEMBL20052480

SCHEMBL20052480

C=Nc1cc(C(F)(F)F)ccc1OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.44
RAB9A P51151 2/20 0.44
MAPT P10636 4/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HTR2A P28223 1/20 0.40
KDM4E B2RXH2 4/20 0.40
HSD17B10 Q99714 2/20 0.40
CASP1 P29466 1/20 0.40
LRRK2 Q5S007 2/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
ALOX15 P16050 1/20 0.39
MAPK1 P28482 1/20 0.39
ALOX5AP P20292 1/20 0.39
FEN1 P39748 1/20 0.39
CYP2C19 P33261 3/20 0.38
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2D6 P10635 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
SCHEMBL21443295 0.84 CA1 (0.42) MAPTKDM4EHSD17B10CASP1KMT2A
SCHEMBL20052481 0.82 L3MBTL1 (0.44) L3MBTL1RAB9AMAPTNPSR1KDM4E
SCHEMBL10451549 0.81 MEN1 (0.53) L3MBTL1RAB9AMAPTNPSR1HTR2A
SCHEMBL6118430 0.78 L3MBTL1 (0.44) L3MBTL1RAB9AMAPTNPSR1HTR2A
SCHEMBL30313140 0.78 CYP3A4 (0.50) L3MBTL1RAB9AMAPTNPSR1KDM4E
SCHEMBL178010 0.78 CYP3A4 (0.50) L3MBTL1RAB9AMAPTNPSR1KDM4E
SCHEMBL28407737 0.77 L3MBTL1 (0.45) L3MBTL1RAB9AMAPTNPSR1HTR2A
SCHEMBL15845875 0.76 MAPT (0.39) L3MBTL1RAB9AMAPTNPSR1HTR2A
SCHEMBL15845863 0.76 MAPT (0.39) L3MBTL1RAB9AMAPTNPSR1HTR2A
SCHEMBL20042059 0.76 MAPT (0.39) L3MBTL1RAB9AMAPTNPSR1HTR2A

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
US-RE49698-E1 Substituted dihydroquinazolines AIC246 AG & CO. KG (DE) 2023-10-17 US disclosed
US-RE46791-E1 Substituted dihydroquinazolines AICURIS ANTI-INFECTIVE CURES GMBH (DE) 2018-04-17 US disclosed