SCHEMBL14024554

SCHEMBL14024554

C=Nc1ccccc1/C=C(/C)N

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
GRIN2D O15399 11/20 0.34
GRIN3B O60391 11/20 0.34
GRIN1 Q05586 11/20 0.34
GRIN2A Q12879 11/20 0.34
GRIN2B Q13224 11/20 0.34
GRIN2C Q14957 11/20 0.34
GRIN3A Q8TCU5 11/20 0.34
NOS3 P29474 2/20 0.33
NOS1 P29475 2/20 0.33
CA12 O43570 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
RAB9A P51151 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
HTR3E A5X5Y0 1/20 0.31

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
SCHEMBL18583904 1.00 L3MBTL1 (0.35) L3MBTL1ALDH1A1LMNAHPGDHTT
SCHEMBL18570253 0.84 CA12 (0.35) L3MBTL1ALDH1A1LMNAHPGDHTT
SCHEMBL21276638 0.81 CA12 (0.33) L3MBTL1ALDH1A1CA12CA2CA9
SCHEMBL14427457 0.80 CA12 (0.31) CA12CA2CA9
SCHEMBL19718545 0.79 CA12 (0.32) CA12CA2CA9RAB9A
SCHEMBL22481904 0.78 CA12 (0.32) CA12CA2CA9RAB9A
SCHEMBL20216019 0.73 RECQL (0.41) ALDH1A1HPGDRAB9A
SCHEMBL23739389 0.71 CYP3A4 (0.41) L3MBTL1ALDH1A1LMNAHTTGRIN2D
SCHEMBL12957563 0.71 MAPT (0.48) L3MBTL1ALDH1A1LMNAHPGDHTT
SCHEMBL13891036 0.71 ALDH1A1 (0.48) L3MBTL1ALDH1A1LMNAHPGDHTT

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-2008136815-A2 5, 6-RING ANNULATED INDOLE DERIVATIVES AND USE THEREOF SCHERING CORPORATION (US) 2008-11-13 WO disclosed