SCHEMBL14040342

SCHEMBL14040342

CN/C=C\NCc1ccc(C(C)C)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.44
RAB9A P51151 7/20 0.42
NPC1 O15118 6/20 0.42
MEN1 O00255 6/20 0.41
KMT2A Q03164 6/20 0.41
SMN1; SMN2 Q16637 5/20 0.41
IDO1 P14902 2/20 0.40
ALDH1A1 P00352 5/20 0.39
MAPT P10636 2/20 0.37
KDM4E B2RXH2 2/20 0.37
GAA P10253 1/20 0.37
ALOX15 P16050 1/20 0.37
ALOX12 P18054 1/20 0.37
MAPK1 P28482 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
HTR1D P28221 1/20 0.36
HTR1B P28222 1/20 0.36
TYR P14679 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL3307130 0.77 ADH1B (0.55) L3MBTL1RAB9ANPC1MEN1KMT2A
SCHEMBL13373221 0.76 ADH1B (0.54) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL12146368 0.76 ADH1B (0.54) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL1254702 0.76 L3MBTL1 (0.52) L3MBTL1RAB9ANPC1MEN1KMT2A
SCHEMBL4397639 0.73 L3MBTL1 (0.63) L3MBTL1RAB9ANPC1MEN1KMT2A
SCHEMBL5537515 0.71 RAB9A (0.48) L3MBTL1RAB9ANPC1MEN1KMT2A
SCHEMBL3956146 0.70 IDO1 (0.56) L3MBTL1RAB9ANPC1MEN1KMT2A
SCHEMBL14438280 0.70 IDO1 (0.52) L3MBTL1RAB9ANPC1MEN1KMT2A
SCHEMBL29579969 0.70 L3MBTL1 (0.70) L3MBTL1RAB9ANPC1MEN1KMT2A
SCHEMBL29185851 0.70 RAB9A (0.50) L3MBTL1RAB9ANPC1MEN1KMT2A

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
EP-1727798-B1 NOVEL ARYL-CONTAINING 5-ACYLINDOLINONES, THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INT (DE) 2008-10-29 EP disclosed