SCHEMBL29463231

SCHEMBL29463231

CCOC(=O)c1cc2cc(N)ccc2n1CC(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOD2 Q9HC29 2/20 0.46
NOD1 Q9Y239 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
KDM4E B2RXH2 2/20 0.44
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
F10 P00742 2/20 0.43
CCR2 P41597 1/20 0.42
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAOA P21397 1/20 0.41
ADORA3 P0DMS8 2/20 0.41
HRH3 Q9Y5N1 4/20 0.39
POLB P06746 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ELANE P08246 1/20 0.38

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
SCHEMBL23045596 1.00 NOD2 (0.46) NOD2NOD1MEN1KMT2ASMN1; SMN2
SCHEMBL2428965 0.86 MEN1 (0.46) NOD2NOD1MEN1KMT2ASMN1; SMN2
SCHEMBL4194183 0.86 NOD2 (0.50) NOD2NOD1MEN1KMT2ASMN1; SMN2
SCHEMBL16733085 0.84 KDM4E (0.50) NOD2NOD1MEN1KMT2ASMN1; SMN2
SCHEMBL31383524 0.84 KDM4E (0.52) NOD2NOD1MEN1KMT2ASMN1; SMN2
SCHEMBL23045603 0.84 KDM4E (0.52) NOD2NOD1MEN1KMT2ASMN1; SMN2
SCHEMBL23052993 0.84 NOD2 (0.64) NOD2NOD1MEN1KMT2ASMN1; SMN2
SCHEMBL23045571 0.83 NOD2 (0.46) NOD2NOD1MEN1KMT2ASMN1; SMN2
SCHEMBL29463246 0.83 NOD2 (0.46) NOD2NOD1MEN1KMT2ASMN1; SMN2
SCHEMBL18733435 0.82 TSHR (0.57) NOD2NOD1MEN1KMT2ASMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114302874-A Indole carboxamide derivatives and pharmaceutical compositions comprising same 国际药品株式会社 2022-04-08 CN disclosed