SCHEMBL8933556

SCHEMBL8933556

COc1ccc(CC[PH](=N)c2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.50
TAAR1 Q96RJ0 1/20 0.46
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SIGMAR1 Q99720 2/20 0.43
KCNH2 Q12809 1/20 0.43
ABCB1 P08183 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ATM Q13315 1/20 0.42
CALM1 P0DP23 1/20 0.42
MAOB P27338 1/20 0.42
CA4 P22748 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
SCHEMBL8933532 0.83 LTA4H (0.50) LTA4HTAAR1TDP1L3MBTL1NPC1
SCHEMBL8933602 0.80 LTA4H (0.50) LTA4HTAAR1TDP1L3MBTL1NPC1
SCHEMBL2355634 0.76 LTA4H (0.75) LTA4HTAAR1TDP1L3MBTL1NPC1
SCHEMBL28615289 0.75 TDP1 (0.54) LTA4HTDP1L3MBTL1NPC1RAB9A
SCHEMBL971238 0.72 LTA4H (0.53) LTA4HL3MBTL1NPC1RAB9ASIGMAR1
SCHEMBL5632470 0.72 LTA4H (0.69) LTA4HTAAR1TDP1L3MBTL1NPC1
SCHEMBL9054554 0.72 F2RL1 (0.53) TAAR1CALM1MAOB
SCHEMBL834551 0.71 TAAR1 (0.73) LTA4HTAAR1SIGMAR1CALM1MAOB
Anisole SCHEMBL17629450 0.71 LTA4H (0.61) LTA4HTAAR1TDP1L3MBTL1NPC1
SCHEMBL12040566 0.71 TDP1 (0.75) LTA4HTAAR1TDP1L3MBTL1NPC1

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
WO-1996024601-A1 COMPLEXES, PROCESSES FOR THEIR PREPARATION AND THEIR USE UNIVERSITY COLLEGE DUBLIN (IE) 1996-08-15 WO claimed
WO-1996024601-A1 COMPLEXES, PROCESSES FOR THEIR PREPARATION AND THEIR USE UNIVERSITY COLLEGE DUBLIN (IE) 1996-08-15 WO disclosed