SCHEMBL29670970

SCHEMBL29670970

COc1ccc2c(c1)NCCN2C(=O)Nc1ccccc1C

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.51
MEN1 O00255 3/20 0.51
GAA P10253 1/20 0.51
LCK P06239 1/20 0.49
MET P08581 1/20 0.49
KDR P35968 1/20 0.49
TEK Q02763 1/20 0.49
ITGB1 P05556 1/20 0.48
ITGA4 P13612 1/20 0.48
MAPT P10636 3/20 0.46
AVPR1A P37288 3/20 0.44
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
MMP2 P08253 1/20 0.43
TP53 P04637 1/20 0.42
THRB P10828 1/20 0.42
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL28718270 1.00 KMT2A (0.51) KMT2AMEN1GAALCKMET
SCHEMBL28715922 0.90 MAPT (0.57) KMT2AMEN1GAAMAPTRAB9A
SCHEMBL29670966 0.90 MAPT (0.57) KMT2AMEN1GAAMAPTRAB9A
SCHEMBL29670973 0.88 MMP2 (0.43) KMT2AMEN1MAPTAVPR1ARAB9A
SCHEMBL28722558 0.88 MMP2 (0.43) KMT2AMEN1MAPTAVPR1ARAB9A
SCHEMBL28708840 0.87 KMT2A (0.55) KMT2AMEN1MAPTRAB9ANPC1
SCHEMBL29670955 0.87 KMT2A (0.55) KMT2AMEN1MAPTRAB9ANPC1
SCHEMBL29670956 0.85 TP53 (0.50) KMT2AMEN1GAAMAPTRAB9A
SCHEMBL28705641 0.85 MAPT (0.52) KMT2AMEN1GAAMAPTTP53
SCHEMBL29670957 0.85 MAPT (0.52) KMT2AMEN1GAAMAPTTP53

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-114276303-B Ureido compounds or pharmaceutically acceptable salts thereof, and preparation method and application thereof 河南大学 2023-09-22 CN disclosed
CN-114276303-A Ureido compound or its medicinal salt and its preparing process and application 河南大学 2022-04-05 CN disclosed