SCHEMBL29215313

SCHEMBL29215313

Nc1ccc(-c2nc3ccccc3nc2N)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.56
ALDH1A1 P00352 6/20 0.56
MAPT P10636 5/20 0.56
HSD17B10 Q99714 4/20 0.56
HPGD P15428 3/20 0.56
GAA P10253 3/20 0.56
KMT2A Q03164 7/20 0.53
ATM Q13315 3/20 0.53
TLR9 Q9NR96 1/20 0.53
RAD51 Q06609 1/20 0.53
MEN1 O00255 6/20 0.51
RAB9A P51151 4/20 0.48
NPC1 O15118 3/20 0.48
LMNA P02545 2/20 0.47
GPR55 Q9Y2T6 1/20 0.47
CYP3A4 P08684 3/20 0.47
TP53 P04637 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
PKM P14618 2/20 0.47
GMNN O75496 1/20 0.47

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
SCHEMBL4605644 0.89 KMT2A (0.64) KDM4EALDH1A1MAPTHSD17B10HPGD
SCHEMBL384076 0.87 KDM4E (0.61) KDM4EALDH1A1MAPTHSD17B10HPGD
SCHEMBL23384670 0.85 KMT2A (0.71) KDM4EALDH1A1MAPTHSD17B10HPGD
SCHEMBL31448436 0.84 TDP1 (0.69) KDM4EALDH1A1MAPTHSD17B10HPGD
SCHEMBL23164224 0.79 CYP3A4 (0.56) KDM4EALDH1A1MAPTHSD17B10HPGD
SCHEMBL23625965 0.79 SRC (0.51) KDM4EALDH1A1MAPTHSD17B10HPGD
SCHEMBL28574298 0.77 RAB9A (0.55) ALDH1A1MAPTHPGDKMT2AMEN1
SCHEMBL22288238 0.75 KMT2A (0.93) KDM4EALDH1A1MAPTHSD17B10HPGD
SCHEMBL22288252 0.75 KMT2A (0.93) KDM4EALDH1A1MAPTHSD17B10HPGD
SCHEMBL29831706 0.75 KMT2A (0.93) KDM4EALDH1A1MAPTHSD17B10HPGD

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-118027346-A Thermoplastic polyurethane elastomer material and preparation method thereof 四川轻化工大学 2024-05-14 CN disclosed