SCHEMBL25939697

SCHEMBL25939697

C=NOCC(=O)NCc1ccc(-c2nnc(C)nn2)cc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.44
▸ LMNA P02545 3/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ ALDH1A1 P00352 4/20 0.39
▸ HTT P42858 2/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ XDH P47989 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ EPHX2 P34913 1/20 0.37
▸ NR1H4 Q96RI1 1/20 0.37

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
SCHEMBL25457447 0.88 HPGD (0.36) HPGDLMNASMN1; SMN2ALDH1A1HTT
SCHEMBL18121970 0.83 SMN1; SMN2 (0.42) HPGDLMNASMN1; SMN2ALDH1A1HTT
SCHEMBL18119800 0.80 POLB (0.46) HPGDLMNASMN1; SMN2ALDH1A1HTT
SCHEMBL22415053 0.80 SMN1; SMN2 (0.39) HPGDLMNASMN1; SMN2ALDH1A1HTT
SCHEMBL18119766 0.79 SMN1; SMN2 (0.69) HPGDLMNASMN1; SMN2ALDH1A1HTT
SCHEMBL21695215 0.79 SMN1; SMN2 (0.69) HPGDLMNASMN1; SMN2ALDH1A1HTT
SCHEMBL24832490 0.77 SMN1; SMN2 (0.55) HPGDLMNASMN1; SMN2ALDH1A1HTT
SCHEMBL18119788 0.77 KMT2A (0.56) SMN1; SMN2ALDH1A1KMT2A
SCHEMBL25457352 0.76 HTT (0.58) LMNAALDH1A1HTTKMT2AMEN1
SCHEMBL25457451 0.76 HPGD (0.42) HPGDLMNASMN1; SMN2ALDH1A1HTT

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-4218833-A1 LABELING OF ANTIBODIES Whitehead Institute for Biomedical Research (US) 2023-08-02 — — EP disclosed
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