SCHEMBL29670955

SCHEMBL29670955

COc1ccc2c(c1)NCCN2C(=O)Nc1cccc2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.55
ALDH1A1 P00352 7/20 0.55
KDM4E B2RXH2 7/20 0.55
MEN1 O00255 4/20 0.55
HPGD P15428 1/20 0.55
RAB9A P51151 3/20 0.50
NPC1 O15118 2/20 0.50
POLB P06746 4/20 0.48
HSD17B10 Q99714 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 2/20 0.45
HTT P42858 1/20 0.45
MCL1 Q07820 1/20 0.45
FFAR4 Q5NUL3 1/20 0.45
GPR139 Q6DWJ6 1/20 0.45
HCRTR1 O43613 1/20 0.45
HCRTR2 O43614 1/20 0.45
TSHR P16473 1/20 0.45

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
SCHEMBL28708840 1.00 KMT2A (0.55) KMT2AALDH1A1KDM4EMEN1HPGD
SCHEMBL29670966 0.88 MAPT (0.57) KMT2AALDH1A1KDM4EMEN1RAB9A
SCHEMBL28715922 0.88 MAPT (0.57) KMT2AALDH1A1KDM4EMEN1RAB9A
SCHEMBL29670970 0.87 KMT2A (0.51) KMT2AALDH1A1MEN1RAB9ANPC1
SCHEMBL28718270 0.87 KMT2A (0.51) KMT2AALDH1A1MEN1RAB9ANPC1
SCHEMBL29670956 0.83 TP53 (0.50) KMT2AALDH1A1KDM4EMEN1RAB9A
SCHEMBL28708838 0.83 TP53 (0.50) KMT2AALDH1A1KDM4EMEN1RAB9A
SCHEMBL28705641 0.83 MAPT (0.52) KMT2AALDH1A1KDM4EMEN1SMN1; SMN2
SCHEMBL29670957 0.83 MAPT (0.52) KMT2AALDH1A1KDM4EMEN1SMN1; SMN2
SCHEMBL29670982 0.82 ALDH1A1 (0.57) KMT2AALDH1A1RAB9ANPC1POLB

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