SCHEMBL2743092

SCHEMBL2743092

COC(=O)c1cnn(-c2ccccn2)c1N

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.75
RAB9A P51151 4/20 0.75
HPGD P15428 2/20 0.75
TP53 P04637 1/20 0.75
ALDH1A1 P00352 2/20 0.60
MAPT P10636 7/20 0.53
LMNA P02545 4/20 0.53
CYP1A2 P05177 2/20 0.50
CYP2C19 P33261 2/20 0.50
MEN1 O00255 1/20 0.50
CYP2C9 P11712 1/20 0.50
KMT2A Q03164 1/20 0.50
MAPK14 Q16539 1/20 0.48
TDP1 Q9NUW8 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ATM Q13315 1/20 0.47
RECQL P46063 1/20 0.46
TSHR P16473 1/20 0.46
PLK4 O00444 1/20 0.44
ROCK2 O75116 1/20 0.44

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
SCHEMBL1335629 0.86 NPC1 (1.00) NPC1RAB9AHPGDTP53ALDH1A1
SCHEMBL9601990 0.85 NPC1 (0.55) NPC1RAB9AHPGDTP53ALDH1A1
SCHEMBL9600303 0.84 NPC1 (0.54) NPC1RAB9AHPGDTP53ALDH1A1
SCHEMBL10561664 0.83 RAB9A (0.52) NPC1RAB9AHPGDTP53ALDH1A1
SCHEMBL1691489 0.83 RAB9A (0.66) NPC1RAB9AHPGDTP53ALDH1A1
SCHEMBL10366780 0.83 NPC1 (0.66) NPC1RAB9AHPGDTP53ALDH1A1
SCHEMBL6069530 0.83 NPC1 (0.53) NPC1RAB9AHPGDTP53ALDH1A1
SCHEMBL8436667 0.82 NPC1 (0.53) NPC1RAB9AHPGDTP53ALDH1A1
SCHEMBL10519617 0.81 MAPT (0.56) NPC1RAB9AHPGDTP53ALDH1A1
SCHEMBL2743090 0.80 ALDH1A1 (0.72) NPC1RAB9AHPGDTP53ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8202327-B2 Pigment composition, inkjet recording ink, coloring composition for color filter, and color filter FUJIFILM CORPORATION (JP) 2012-06-19 US disclosed
US-8202327-B2 Pigment composition, inkjet recording ink, coloring composition for color filter, and color filter FUJIFILM CORPORATION (JP) 2012-06-19 US disclosed
US-20120001133-A1 PIGMENT COMPOSITION, INKJET RECORDING INK, COLORING COMPOSITION FOR COLOR FILTER, AND COLOR FILTER FUJIFILM CORPORATION (JP) 2012-01-05 US disclosed
US-20120001133-A1 PIGMENT COMPOSITION, INKJET RECORDING INK, COLORING COMPOSITION FOR COLOR FILTER, AND COLOR FILTER FUJIFILM CORPORATION (JP) 2012-01-05 US disclosed
EP-2402404-A1 Pigment composition, inkjet recording ink, coloring composition for color filter, and color filter FUJIFILM Corporation (JP) 2012-01-04 EP disclosed