SCHEMBL28411099

SCHEMBL28411099

COc1ccn2cc(C(C)=O)c(C(=O)Nc3cccc(-c4ccccc4)c3F)c2c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.44
▸ GAA P10253 3/20 0.44
▸ CREBBP Q92793 7/20 0.43
▸ ALDH1A1 P00352 3/20 0.41
▸ MAPT P10636 2/20 0.41
▸ LMNA P02545 2/20 0.41
▸ HTT P42858 1/20 0.41
▸ NPSR1 Q6W5P4 3/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ POLB P06746 2/20 0.40
▸ EPHB3 P54753 1/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ DHODH Q02127 1/20 0.39
▸ BRD2 P25440 1/20 0.38
▸ BRD3 Q15059 1/20 0.38
▸ EP300 Q09472 1/20 0.38

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
SCHEMBL28416810 0.90 ABCB1 (0.45) KDM4ECREBBPALDH1A1MAPTLMNA
SCHEMBL28417785 0.89 CREBBP (0.44) CREBBPMAPTHTTPOLBEPHB3
SCHEMBL28891091 0.89 CREBBP (0.41) KDM4EGAACREBBPMAPTLMNA
SCHEMBL28415697 0.88 CREBBP (0.58) CREBBPEPHB3BRD2BRD3EP300
SCHEMBL28410723 0.87 CREBBP (0.45) KDM4EGAACREBBPEPHB3TP53
SCHEMBL28419775 0.86 CREBBP (0.46) KDM4ECREBBPALDH1A1EPHB3BRD2
SCHEMBL28422565 0.86 LCLAT1 (0.40) KDM4ECREBBPALDH1A1MAPTHTT
SCHEMBL28415713 0.86 CREBBP (0.46) CREBBPHTTPOLBEPHB3RAB9A
SCHEMBL28419951 0.85 SMN1; SMN2 (0.39) KDM4ECREBBPALDH1A1MAPTHTT
SCHEMBL28418305 0.84 CREBBP (0.43) CREBBPHTTPOLBEPHB3RAB9A

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-111320621-A Indolizine compound and preparation method and application thereof 中国科学院广州生物医药与健康研究院 2020-06-23 — — CN disclosed
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