SCHEMBL28537633

SCHEMBL28537633

CC(=O)OC1C(=O)N(C)c2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.45
▸ KMT2A Q03164 4/20 0.45
▸ POLB P06746 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ GAA P10253 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ HDAC4 P56524 1/20 0.44
▸ HDAC7 Q8WUI4 1/20 0.44
▸ HDAC5 Q9UQL6 1/20 0.44
▸ MAPT P10636 2/20 0.44
▸ EGFR P00533 3/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ ALDH1A1 P00352 5/20 0.40
▸ KDM4E B2RXH2 2/20 0.39
▸ HIF1A Q16665 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.38
▸ PSEN1 P49768 1/20 0.38
▸ PSEN2 P49810 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
SCHEMBL18074243 0.81 POLB (0.42) MEN1KMT2APOLBMAPTALDH1A1
SCHEMBL18974996 0.80 KDM4E (0.44) MEN1KMT2ALMNAGAASMN1; SMN2
SCHEMBL30067738 0.80 KDM4E (0.44) MEN1KMT2ALMNAGAASMN1; SMN2
SCHEMBL10743139 0.79 MEN1 (0.40) MEN1KMT2ALMNASMN1; SMN2MAPT
SCHEMBL17974970 0.73 MEN1 (0.49) MEN1KMT2ALMNAGAASMN1; SMN2
SCHEMBL4402923 0.70 POLB (0.71) MEN1KMT2APOLBLMNAGAA
SCHEMBL30341829 0.70 POLB (0.71) MEN1KMT2APOLBLMNAGAA
SCHEMBL29557464 0.70 BRD4 (0.49) MEN1KMT2ALMNAGAASMN1; SMN2
SCHEMBL769455 0.70 BRD4 (0.49) MEN1KMT2ALMNAGAASMN1; SMN2
SCHEMBL26017423 0.70 BRD4 (0.49) MEN1KMT2ALMNAGAASMN1; SMN2

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-112538071-A Compounds useful as RAF-1 inhibitors, methods of preparation and uses 新乡医学院第一附属医院 2021-03-23 — — CN disclosed
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