SCHEMBL28410730

SCHEMBL28410730

COc1ccn2cc(C(C)=O)c(C(=O)Nc3cccc(-c4ccc(C=O)o4)c3F)c2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CREBBP Q92793 6/20 0.40
▸ ALDH1A1 P00352 5/20 0.39
▸ KDM4E B2RXH2 4/20 0.39
▸ TP53 P04637 2/20 0.35
▸ SMN1; SMN2 Q16637 4/20 0.35
▸ POLB P06746 4/20 0.35
▸ HPGD P15428 2/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ RAB9A P51151 4/20 0.34
▸ MAPT P10636 4/20 0.34
▸ HSD17B10 Q99714 2/20 0.34
▸ TSHR P16473 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ NPC1 O15118 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ HTT P42858 1/20 0.34
▸ EPHB3 P54753 1/20 0.34
▸ BRD2 P25440 1/20 0.34
▸ BRD3 Q15059 1/20 0.34

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
SCHEMBL28419951 0.89 SMN1; SMN2 (0.39) CREBBPALDH1A1KDM4ETP53SMN1; SMN2
SCHEMBL28422565 0.85 LCLAT1 (0.40) CREBBPALDH1A1KDM4ETP53SMN1; SMN2
SCHEMBL28411099 0.83 KDM4E (0.44) CREBBPALDH1A1KDM4ETP53SMN1; SMN2
SCHEMBL28881775 0.83 CREBBP (0.56) CREBBPALDH1A1KDM4ETP53MAPT
SCHEMBL28891091 0.82 CREBBP (0.41) CREBBPKDM4ETP53SMN1; SMN2POLB
SCHEMBL28418305 0.80 CREBBP (0.43) CREBBPTP53SMN1; SMN2POLBRAB9A
SCHEMBL28417785 0.80 CREBBP (0.44) CREBBPTP53SMN1; SMN2POLBRAB9A
SCHEMBL28416810 0.79 ABCB1 (0.45) CREBBPALDH1A1KDM4ESMN1; SMN2MAPT
SCHEMBL28415697 0.79 CREBBP (0.58) CREBBPEPHB3BRD2BRD3
SCHEMBL28415934 0.79 CREBBP (0.40) CREBBPKDM4ETP53SMN1; SMN2POLB

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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