SCHEMBL2304113

SCHEMBL2304113

O=C1Nc2cc(Cl)ccc2/C1=C/c1cccc(O)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK4 O00444 1/20 0.71
PLK1 P53350 1/20 0.71
LRRK2 Q5S007 6/20 0.59
PSEN1 P49768 2/20 0.59
PSEN2 P49810 2/20 0.59
APH1B Q8WW43 2/20 0.59
NCSTN Q92542 2/20 0.59
APH1A Q96BI3 2/20 0.59
PSENEN Q9NZ42 2/20 0.59
MGAM O43451 1/20 0.56
GAA P10253 1/20 0.56
SI P14410 1/20 0.56
MGAM2 Q2M2H8 1/20 0.56
TUBB4A P04350 1/20 0.53
TUBB P07437 1/20 0.53
TUBA3C P0DPH7 1/20 0.53
TUBA1B P68363 1/20 0.53
TUBA4A P68366 1/20 0.53
TUBB4B P68371 1/20 0.53
TUBB3 Q13509 1/20 0.53

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
SCHEMBL1300789 1.00 PLK4 (0.71) PLK4PLK1LRRK2PSEN1PSEN2
SCHEMBL250593 0.90 LRRK2 (0.65) PLK4PLK1LRRK2PSEN1PSEN2
SCHEMBL29443853 0.90 LRRK2 (0.65) PLK4PLK1LRRK2PSEN1PSEN2
SCHEMBL8205160 0.90 LRRK2 (0.65) PLK4PLK1LRRK2PSEN1PSEN2
SCHEMBL250592 0.90 LRRK2 (0.65) PLK4PLK1LRRK2PSEN1PSEN2
SCHEMBL5477775 0.90 LRRK2 (0.74) PLK4PLK1LRRK2PSEN1PSEN2
SCHEMBL1300824 0.90 LRRK2 (0.74) PLK4PLK1LRRK2PSEN1PSEN2
SCHEMBL2132052 0.85 LRRK2 (0.78) PLK4PLK1LRRK2PSEN1PSEN2
SCHEMBL1021458 0.85 LRRK2 (0.78) PLK4PLK1LRRK2PSEN1PSEN2
SCHEMBL1021460 0.85 LRRK2 (0.78) PLK4PLK1LRRK2PSEN1PSEN2

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
EP-2350001-A1 NOVEL BENZYLIDENE-INDOLINONE AND THEIR MEDICAL AND DIAGNOSTIC USES National University of Singapore (SG) 2011-08-03 EP claimed
WO-2010044753-A1 NOVEL BENZYLIDENE-INDOLINONE AND THEIR MEDICAL AND DIAGNOSTIC USES NATIONAL UNIVERSITY OF SINGAPORE (SG) 2010-04-22 WO claimed