SCHEMBL3477650

SCHEMBL3477650

O=C(NNc1nnc(Cc2ccc(C(F)(F)F)cc2)s1)c1cc(F)ccc1C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
MEN1 O00255 9/20 0.40
KMT2A Q03164 9/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 2/20 0.40
DGAT1 O75907 1/20 0.39
ABL1 P00519 1/20 0.39
TSHR P16473 1/20 0.38
RXFP1 Q9HBX9 1/20 0.37
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL3468120 0.93 L3MBTL1 (0.43) POLBL3MBTL1MEN1KMT2ANPC1
SCHEMBL3476363 0.79 KMT2A (0.46) POLBL3MBTL1MEN1KMT2ANPC1
SCHEMBL3466740 0.78 NPC1 (0.52) POLBMEN1KMT2ANPC1RAB9A
SCHEMBL3477656 0.78 KMT2A (0.50) POLBMEN1KMT2ANPC1RAB9A
SCHEMBL3468829 0.77 L3MBTL1 (0.44) POLBL3MBTL1MEN1KMT2ANPC1
SCHEMBL3467128 0.77 KMT2A (0.44) POLBL3MBTL1MEN1KMT2ANPC1
SCHEMBL3467575 0.76 MEN1 (0.58) POLBL3MBTL1MEN1KMT2ANPC1
SCHEMBL3467304 0.74 KMT2A (0.53) POLBMEN1KMT2ANPC1RAB9A
SCHEMBL3476631 0.74 KMT2A (0.45) POLBL3MBTL1MEN1KMT2ANPC1
SCHEMBL30397671 0.69 RAB9A (0.52) POLBL3MBTL1MEN1KMT2ANPC1

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-2010073011-A2 COMPOUNDS USEFUL AS MEDICAMENTS BETAGENON AB (SE) 2010-07-01 WO disclosed