SCHEMBL12903015

SCHEMBL12903015

COc1cccc(NC(=O)OCCCc2nc(N/N=C/c3cccc(C)c3)nc(N3CCOCC3)n2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.48
▸ MAPT P10636 6/20 0.47
▸ LMNA P02545 5/20 0.47
▸ GAA P10253 2/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ HTT P42858 1/20 0.47
▸ RECQL P46063 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ TEX264 Q9Y6I9 1/20 0.47
▸ KDM4E B2RXH2 2/20 0.46
▸ HPGD P15428 1/20 0.46
▸ PIKFYVE Q9Y2I7 6/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ FES P07332 1/20 0.41
▸ FER P16591 1/20 0.41
▸ TYK2 P29597 1/20 0.41
▸ FRK P42685 1/20 0.41
▸ SYK P43405 1/20 0.41
▸ CAMK1D Q8IU85 1/20 0.41
▸ IRAK4 Q9NWZ3 1/20 0.41

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
SCHEMBL912259 1.00 KMT2A (0.48) KMT2AMAPTLMNAGAAMEN1
SCHEMBL913590 0.88 MAPT (0.54) KMT2AMAPTLMNAMEN1KDM4E
SCHEMBL913589 0.88 MAPT (0.54) KMT2AMAPTLMNAMEN1KDM4E
SCHEMBL913368 0.84 PIKFYVE (0.48) MAPTLMNAKDM4EHPGDPIKFYVE
SCHEMBL12903014 0.84 PIKFYVE (0.48) KMT2AMAPTLMNAMEN1KDM4E
SCHEMBL912824 0.81 KDM4E (0.59) KMT2AMAPTLMNAGAAHTT
SCHEMBL912260 0.78 POLB (0.41) KMT2AMAPTLMNAMEN1HTT
SCHEMBL912258 0.78 POLB (0.41) KMT2AMAPTLMNAMEN1HTT
SCHEMBL913227 0.78 KDM4E (0.57) KMT2AMAPTLMNAGAAMEN1
SCHEMBL913226 0.78 KDM4E (0.57) KMT2AMAPTLMNAGAAMEN1

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
US-7872005-B2 2-substituted heteroaryl compounds SYNTA PHARMACEUTICALS CORPORATION (US) 2011-01-18 — — US disclosed
US-7872005-B2 2-substituted heteroaryl compounds SYNTA PHARMACEUTICALS CORPORATION (US) 2011-01-18 — — US disclosed
Send feedback