SCHEMBL28574102

SCHEMBL28574102

Cn1cnc(C(=O)Nc2ccc3c(c2)c(C#N)cn3Cc2ccccc2)c1

nearest known ligand 0.69

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
XDH P47989 18/20 0.69
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
TSHR P16473 1/20 0.48
KMT2A Q03164 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
TDP1 Q9NUW8 1/20 0.48

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
SCHEMBL28568535 0.87 XDH (0.65) XDH
SCHEMBL30464267 0.86 XDH (0.73) XDH
SCHEMBL28572802 0.86 XDH (0.73) XDH
SCHEMBL28568027 0.85 XDH (0.77) XDH
SCHEMBL30464263 0.84 XDH (0.70) XDHMEN1ALDH1A1TSHRKMT2A
SCHEMBL28570831 0.84 XDH (0.70) XDHMEN1ALDH1A1TSHRKMT2A
SCHEMBL28563573 0.83 XDH (0.62) XDHMEN1ALDH1A1TSHRKMT2A
SCHEMBL28572409 0.83 XDH (0.64) XDH
SCHEMBL28566556 0.83 XDH (0.69) XDHMEN1KMT2ASMN1; SMN2
SCHEMBL30464269 0.83 XDH (0.69) XDHMEN1KMT2ASMN1; SMN2

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
CN-112920169-B N-indolyl imidazole carboxamide compound and preparation method and application thereof 中国医科大学 2022-03-25 CN disclosed
CN-112920169-A N-indolyl imidazole carboxamide compound and preparation method and application thereof 中国医科大学 2021-06-08 CN disclosed