SCHEMBL17281601

SCHEMBL17281601

C=C(N1CCN(Cc2ccc3c(c2)OCO3)CC1)n1cc(C(=O)N2CCOCC2)cn1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.58
▸ TDP1 Q9NUW8 1/20 0.58
▸ MEN1 O00255 3/20 0.55
▸ KMT2A Q03164 3/20 0.55
▸ ALDH1A1 P00352 6/20 0.53
▸ SMN1; SMN2 Q16637 3/20 0.53
▸ FABP1 P07148 1/20 0.52
▸ FABP6 P51161 1/20 0.52
▸ TSHR P16473 1/20 0.52
▸ LMNA P02545 4/20 0.51
▸ MAPT P10636 2/20 0.51
▸ HTT P42858 2/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ PKM P14618 1/20 0.51

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
SCHEMBL17281600 0.91 KDM4E (0.60) KDM4ETDP1MEN1KMT2AALDH1A1
SCHEMBL17281577 0.83 KDM4E (0.62) KDM4ETDP1MEN1KMT2AALDH1A1
SCHEMBL17281587 0.83 KDM4E (0.62) KDM4ETDP1MEN1KMT2AALDH1A1
SCHEMBL17281608 0.82 KDM4E (0.61) KDM4ETDP1MEN1KMT2AALDH1A1
SCHEMBL94838 0.75 MEN1 (0.72) KDM4ETDP1MEN1KMT2AALDH1A1
SCHEMBL8925693 0.73 ALDH1A1 (0.75) KDM4ETDP1MEN1KMT2AALDH1A1
SCHEMBL12058759 0.73 KMT2A (0.75) KDM4ETDP1MEN1KMT2AALDH1A1
SCHEMBL19078745 0.73 HTT (0.59) KDM4ETDP1MEN1KMT2AALDH1A1
SCHEMBL17276341 0.73 LSS (0.51) KDM4EMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL16598448 0.72 KDM4E (0.66) KDM4ETDP1MEN1KMT2AALDH1A1

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-2015179559-A2 PYRAZOLE COMPOUNDS AND METHODS OF MAKING AND USING SAME ABIDE THERAPEUTICS, INC. (US) 2015-11-26 — — WO disclosed
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