SCHEMBL29868630

SCHEMBL29868630

CC(C)(C)C(=O)NCCCCn1cnc2cc(C(N)=O)ccc21

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 6/20 0.51
HPGD P15428 2/20 0.46
HDAC1 Q13547 5/20 0.46
FGFR1 P11362 1/20 0.43
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
MAPT P10636 1/20 0.42
HSD17B10 Q99714 1/20 0.42
ALDH1A1 P00352 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL22134963 0.81 HPGD (0.62) HPGDHDAC1FGFR1MAPTHSD17B10
SCHEMBL29868198 0.80 HPGD (0.67) HPGDHDAC1FGFR1MAPTHSD17B10
SCHEMBL29867975 0.79 STING1 (0.54) STING1HDAC1ALDH1A1MEN1KMT2A
SCHEMBL22160858 0.77 HPGD (0.56) HPGDHDAC1FGFR1MAPTHSD17B10
SCHEMBL9598051 0.76 FGFR1 (0.55) HPGDHDAC1FGFR1MAPTHSD17B10
SCHEMBL9570175 0.76 FGFR1 (0.55) HPGDFGFR1MAPTHSD17B10KMT2A
SCHEMBL29868341 0.74 STING1 (0.68) STING1
SCHEMBL9028449 0.74 FGFR1 (0.58) HPGDFGFR1MAPTHSD17B10KMT2A
SCHEMBL15175892 0.73 BRD4 (0.54) STING1HPGDHDAC1CYP3A4CYP2D6
SCHEMBL22135367 0.73 MTNR1A (0.45) MAPTHSD17B10ALDH1A1MEN1KMT2A

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-2022177307-A1 INTERFERON GENE STIMULATOR COMPOSITION COMPRISING BENZIMIDAZOLE DERIVATIVE AS ACTIVE INGREDIENT 한국화학연구원 2022-08-25 WO disclosed