SCHEMBL22952939

SCHEMBL22952939

Cc1cc(C)c2nc(-c3ccc(-c4nc5c(C)cc(C)cc5c(=O)o4)s3)oc(=O)c2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.45
▸ ALDH1A1 P00352 4/20 0.45
▸ PARP1 P09874 2/20 0.42
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ MAPT P10636 3/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ ELANE P08246 2/20 0.39
▸ F2 P00734 1/20 0.38
▸ POLB P06746 2/20 0.37
▸ PTK2B Q14289 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ PKM P14618 1/20 0.37
▸ APEX1 P27695 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ RCE1 Q9Y256 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ ESR1 P03372 2/20 0.37
▸ ESR2 Q92731 2/20 0.37
▸ C1R P00736 1/20 0.36

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
SCHEMBL22952937 0.83 NPC1 (0.51) KDM4EALDH1A1PARP1MEN1KMT2A
SCHEMBL12352140 0.78 KDM4E (0.71) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL915917 0.75 NPC1 (0.44) KDM4EALDH1A1PARP1MEN1KMT2A
SCHEMBL12758406 0.73 ALDH1A1 (0.45) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL12507325 0.71 ALDH1A1 (0.49) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL12528298 0.70 RAB9A (0.46) KDM4EALDH1A1KMT2AMAPTNPC1
SCHEMBL12908997 0.70 KDM4E (0.59) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL12528524 0.70 P2RY6 (0.38) KDM4EALDH1A1PARP1MEN1KMT2A
SCHEMBL12528466 0.70 S1PR1 (0.41) KDM4EALDH1A1PARP1MEN1KMT2A
SCHEMBL12528498 0.70 SMN1; SMN2 (0.36) KDM4EALDH1A1PARP1MEN1KMT2A

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
US-20210033886-A1 LENS FOR SPECTACLES AND SPECTACLES FUJIFILM CORPORATION (JP) 2021-02-04 — — US disclosed
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