SCHEMBL28707700

SCHEMBL28707700

COc1ccc2c(c1)N(Cc1ccccc1)CCN2C(=O)Nc1ccccc1C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 3/20 0.48
▸ MEN1 O00255 5/20 0.47
▸ KMT2A Q03164 5/20 0.47
▸ TP53 P04637 4/20 0.47
▸ LMNA P02545 3/20 0.47
▸ ALDH1A1 P00352 3/20 0.47
▸ ATM Q13315 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ BRD4 O60885 1/20 0.44
▸ TRPV1 Q8NER1 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL28707706 0.86 ALDH1A1 (0.51) MEN1KMT2AALDH1A1L3MBTL1MAPT
SCHEMBL28718309 0.86 BRD4 (0.47) GAAMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL28722559 0.85 KDM4E (0.53) MEN1KMT2ALMNAALDH1A1POLB
SCHEMBL29670971 0.84 ALDH1A1 (0.56) MEN1KMT2ATP53ALDH1A1POLB
SCHEMBL28718274 0.84 ALDH1A1 (0.56) MEN1KMT2ATP53ALDH1A1POLB
SCHEMBL29670965 0.83 BRD4 (0.50) GAATP53ALDH1A1MAPTBRD4
SCHEMBL28705613 0.83 BRD4 (0.50) GAATP53ALDH1A1MAPTBRD4
SCHEMBL28707698 0.83 MAPT (0.54) MEN1KMT2ATP53LMNAALDH1A1
SCHEMBL28718272 0.83 ACHE (0.48) MEN1KMT2ATP53MAPTBRD4
SCHEMBL28937209 0.82 BRD4 (0.49) LMNAALDH1A1MAPTBRD4TRPV1

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
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