SCHEMBL28410209

SCHEMBL28410209

COc1ccn2cc(C(C)=O)c(C(=O)Nc3cccc(C4=CCOCC4)c3F)c2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CREBBP Q92793 7/20 0.38
▸ KDM4E B2RXH2 2/20 0.36
▸ POLB P06746 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ IRAK4 Q9NWZ3 1/20 0.35
▸ BRD2 P25440 1/20 0.35
▸ BRD3 Q15059 1/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ TSHR P16473 2/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ RAB9A P51151 2/20 0.33
▸ EPHB3 P54753 1/20 0.33
▸ PIK3CD O00329 1/20 0.33
▸ PIK3R1 P27986 1/20 0.33
▸ PIK3CA P42336 1/20 0.33
▸ PIK3CB P42338 1/20 0.33
▸ PIK3CG P48736 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ HTT P42858 1/20 0.33

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
SCHEMBL28415934 0.88 CREBBP (0.40) CREBBPKDM4EPOLBLMNABRD2
SCHEMBL28411099 0.82 KDM4E (0.44) CREBBPKDM4EPOLBLMNABRD2
SCHEMBL28418305 0.81 CREBBP (0.43) CREBBPPOLBBRD2BRD3SMN1; SMN2
SCHEMBL28891091 0.81 CREBBP (0.41) CREBBPKDM4EPOLBLMNABRD2
SCHEMBL28422565 0.81 LCLAT1 (0.40) CREBBPKDM4EPOLBSMN1; SMN2ALDH1A1
SCHEMBL28419951 0.80 SMN1; SMN2 (0.39) CREBBPKDM4EPOLBBRD2BRD3
SCHEMBL28415697 0.80 CREBBP (0.58) CREBBPBRD2BRD3EPHB3EP300
SCHEMBL28417785 0.79 CREBBP (0.44) CREBBPPOLBBRD2BRD3SMN1; SMN2
SCHEMBL28416810 0.79 ABCB1 (0.45) CREBBPKDM4ELMNAIRAK4BRD2
SCHEMBL28410730 0.78 CREBBP (0.40) CREBBPKDM4EPOLBLMNABRD2

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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