SCHEMBL8498672

SCHEMBL8498672

Cc1ccc(N2c3ccccc32)c(C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.47
TDP1 Q9NUW8 3/20 0.43
MAPT P10636 3/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ALDH1A1 P00352 2/20 0.42
POLB P06746 1/20 0.42
HTT P42858 1/20 0.42
MGLL Q99685 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
KDM4E B2RXH2 2/20 0.40
TP53 P04637 1/20 0.39
CYP2A6 P11509 1/20 0.39
HTR1A P08908 1/20 0.39
HTR3A P46098 1/20 0.39
COMT P21964 1/20 0.39

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
SCHEMBL13023372 0.86 NPSR1 (0.41) NPSR1TDP1MAPTCYP1A2CYP2D6
SCHEMBL13023265 0.85 KMT2A (0.42) NPSR1TDP1MAPTCYP1A2CYP2D6
SCHEMBL13023369 0.85 SMN1; SMN2 (0.45) NPSR1TDP1MAPTCYP1A2CYP2D6
SCHEMBL13023294 0.85 P2RX4 (0.45) NPSR1TDP1MAPTCYP1A2CYP2D6
SCHEMBL13023277 0.85 MAOA (0.47) NPSR1TDP1MAPTCYP1A2CYP2D6
SCHEMBL13023374 0.85 ALDH1A1 (0.40) NPSR1TDP1MAPTCYP1A2CYP2D6
SCHEMBL13023351 0.82 L3MBTL1 (0.47) MAPTL3MBTL1ALDH1A1POLBHTT
SCHEMBL13023263 0.82 NPSR1 (0.38) NPSR1TDP1MAPTCYP1A2CYP2D6
SCHEMBL13023280 0.82 LMNA (0.50) NPSR1TDP1MAPTCYP1A2CYP2D6
SCHEMBL11414159 0.78 TDP1 (0.48) TDP1ALDH1A1HTTMEN1KMT2A

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-0449047-B1 Liquid crystal device, and display method and display system making use of it CANON KK (JP) 1999-05-26 EP claimed