SCHEMBL13635757

SCHEMBL13635757

O=C(NCC1C=COC1)c1cc(F)c2[nH]nc(-c3ccc4ccccc4c3)c2c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITK Q08881 1/20 0.34
MAPK1 P28482 1/20 0.33
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33
GSK3B P49841 5/20 0.33
KCNH2 Q12809 5/20 0.33
HDAC3 O15379 2/20 0.33
HDAC4 P56524 2/20 0.33
HDAC1 Q13547 2/20 0.33
HDAC7 Q8WUI4 2/20 0.33
HDAC2 Q92769 2/20 0.33
HDAC10 Q969S8 2/20 0.33
HDAC11 Q96DB2 2/20 0.33
HDAC8 Q9BY41 2/20 0.33
HDAC6 Q9UBN7 2/20 0.33
HDAC9 Q9UKV0 2/20 0.33
HDAC5 Q9UQL6 2/20 0.33
CSNK1D P48730 1/20 0.33
MAPK8 P45983 1/20 0.32
MEN1 O00255 1/20 0.32

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
SCHEMBL13635754 0.88 GABRA5 (0.37) GSK3BKCNH2
SCHEMBL2862711 0.85 HDAC3 (0.47) ITKGSK3BKCNH2HDAC3HDAC4
SCHEMBL4345592 0.81 MEN1 (0.51) GSK3BKCNH2MEN1KMT2A
SCHEMBL4333976 0.81 MEN1 (0.51) GSK3BKCNH2MEN1KMT2A
SCHEMBL4334043 0.78 PTGDR2 (0.42) ITKMAPK1MAPTTHRBHDAC2
SCHEMBL2870995 0.78 MCHR1 (0.47) MAPK8MEN1KMT2AMCHR1
SCHEMBL4341443 0.77 TP53 (0.41) MAPK1MAPTCSNK1DMEN1KMT2A
SCHEMBL4334934 0.77 HPGD (0.56) MAPK1MAPTMAPK8MEN1KMT2A
SCHEMBL4331515 0.77 TTK (0.49) MAPK1MAPTKMT2A
SCHEMBL4334329 0.77 NPC1 (0.41) MAPK1MAPTHDAC3HDAC4HDAC1

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-1380576-B1 1H-INDAZOLE COMPOUNDS INHIBITING JNK EISAI R&D MAN CO LTD (JP) 2009-11-25 EP disclosed