SCHEMBL16598138

SCHEMBL16598138

Cn1cnc(CNC(=O)c2ccccn2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.51
▸ GLS O94925 1/20 0.51
▸ TSHR P16473 1/20 0.49
▸ SMN1; SMN2 Q16637 3/20 0.49
▸ KMT2A Q03164 3/20 0.49
▸ HDAC3 O15379 1/20 0.48
▸ HDAC4 P56524 1/20 0.48
▸ HDAC1 Q13547 1/20 0.48
▸ HDAC7 Q8WUI4 1/20 0.48
▸ HDAC2 Q92769 1/20 0.48
▸ HDAC10 Q969S8 1/20 0.48
▸ HDAC11 Q96DB2 1/20 0.48
▸ HDAC8 Q9BY41 1/20 0.48
▸ HDAC6 Q9UBN7 1/20 0.48
▸ HDAC9 Q9UKV0 1/20 0.48
▸ HDAC5 Q9UQL6 1/20 0.48
▸ NTRK1 P04629 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.47
▸ HPGDS O60760 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.46

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
SCHEMBL16598021 0.81 SMN1; SMN2 (0.55) SMN1; SMN2KMT2AALDH1A1HPGDSKDM4E
SCHEMBL8722201 0.79 SMN1; SMN2 (0.69) HTTGLSSMN1; SMN2KMT2AALDH1A1
SCHEMBL1569186 0.78 HPGDS (0.54) SMN1; SMN2KMT2AALDH1A1HPGDSKDM4E
SCHEMBL21016887 0.76 GLS (0.58) HTTGLSTSHRSMN1; SMN2KMT2A
SCHEMBL12332384 0.75 NPSR1 (0.49) TSHRSMN1; SMN2KMT2AHPGDS
SCHEMBL2937818 0.75 HPGDS (0.46) TSHRSMN1; SMN2HPGDS
SCHEMBL31098478 0.75 HTT (0.63) HTTTSHRSMN1; SMN2KMT2AHDAC3
SCHEMBL7975613 0.75 TSHR (0.68) HTTTSHRSMN1; SMN2KMT2AHDAC3
SCHEMBL16598445 0.73 HTT (0.66) HTTTSHRSMN1; SMN2KMT2AALDH1A1
SCHEMBL3083971 0.73 HTT (0.75) HTTTSHRSMN1; SMN2KMT2AHDAC3

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-2015048503-A2 N-ARYLMETHYL SULFONAMIDE NEGATIVE MODULATORS OF NR2A MNEMOSYNE PHARMACEUTICALS, INC. (US) 2015-04-02 — — WO disclosed
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