SCHEMBL5800255

SCHEMBL5800255

NCCC=Cc1ccc2cccnc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
ATM Q13315 2/20 0.47
CASP3 P42574 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
ALDH1A1 P00352 5/20 0.44
CASP1 P29466 2/20 0.44
HTT P42858 2/20 0.44
CASP7 P55210 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
NR4A2 P43354 1/20 0.44
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42

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
SCHEMBL5800253 1.00 MAPT (0.47) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL6852633 0.81 ALDH1A1 (0.50) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL6852642 0.81 ALDH1A1 (0.50) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL12132425 0.78 ALDH1A1 (0.46) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL9970465 0.77 NPC1 (0.54) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL9000568 0.76 NPC1 (0.53) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL9000576 0.76 NPC1 (0.53) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL6656717 0.76 ALDH1A1 (0.50) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL7106503 0.76 ALDH1A1 (0.50) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL24817285 0.74 ALDH1A1 (0.49) MAPTMEN1KMT2ANPC1RAB9A

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
WO-2006047167-A2 9 ALKYL AND 9 ALKYLIDENYL 6-0 ALKYL-11, 12 CARBAMATE KETOLIDE ANTIMICROBIALS JANSSEN PHARMACEUTICA, N.V. (BE) 2006-05-04 WO disclosed