SCHEMBL23939166

SCHEMBL23939166

CC(C)c1cc(OCCN(C)C)ccc1F

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.48
ALDH1A1 P00352 4/20 0.48
MAPT P10636 1/20 0.47
CHRNB2 P17787 2/20 0.46
CHRNA4 P43681 2/20 0.46
HRH3 Q9Y5N1 1/20 0.46
LTA4H P09960 2/20 0.45
KEAP1 Q14145 1/20 0.45
NFE2L2 Q16236 1/20 0.45
GBA1 P04062 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL20314846 0.85 KDM4E (0.51) KDM4EALDH1A1MAPTCHRNB2CHRNA4
SCHEMBL20334629 0.83 KDM4E (0.49) KDM4EALDH1A1MAPTCHRNB2CHRNA4
SCHEMBL9945956 0.82 CARM1 (0.42) KDM4EMAPTLTA4H
SCHEMBL30174322 0.82 MAPT (0.55) KDM4EALDH1A1MAPTCHRNB2CHRNA4
SCHEMBL22831332 0.82 MAPT (0.55) KDM4EALDH1A1MAPTCHRNB2CHRNA4
SCHEMBL24107339 0.81 CARM1 (0.41) KDM4ETDP1
SCHEMBL18488070 0.81 FFAR1 (0.44) KDM4EALDH1A1SMN1; SMN2
SCHEMBL23278125 0.80 KDM4E (0.53) KDM4EALDH1A1MAPTCHRNB2CHRNA4
SCHEMBL17658890 0.80 NQO1 (0.48) ALDH1A1MAPTTDP1SMN1; SMN2
SCHEMBL18488073 0.79 CARM1 (0.43) KDM4E

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
EP-3643709-B1 ISOINDOLINE DERIVATIVE, INTERMEDIATE, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF KANGPU BIOPHARMACEUTICALS LTD (CN) 2021-10-20 EP disclosed