SCHEMBL3988281

SCHEMBL3988281

CC(=O)c1ccc(-c2cc(N)ccc2F)s1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.49
HSD17B1 P14061 8/20 0.43
HSD17B2 P37059 8/20 0.43
LMNA P02545 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GLA P06280 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
FYN P06241 1/20 0.41
TSHR P16473 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2A6 P11509 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM5 P08912 1/20 0.40
CHRM1 P11229 1/20 0.40

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
SCHEMBL3522964 0.92 ERN1 (0.43) ERN1HSD17B1HSD17B2LMNAKDM4E
SCHEMBL7808468 0.84 LMNA (0.45) ERN1HSD17B1HSD17B2LMNAKDM4E
SCHEMBL6136853 0.83 KDM4E (0.44) ERN1HSD17B1HSD17B2LMNAKDM4E
SCHEMBL5704931 0.81 MAPT (0.45) ERN1HSD17B1HSD17B2LMNAKDM4E
Hydrochloric Acid SCHEMBL5704978 0.80 MAPT (0.44) ERN1HSD17B1HSD17B2LMNAKDM4E
SCHEMBL27760166 0.79 ESRRG (0.44) ERN1HSD17B1HSD17B2LMNAKDM4E
SCHEMBL7807504 0.74 ALDH1A1 (0.37) ERN1HSD17B1HSD17B2LMNAKDM4E
SCHEMBL1356959 0.72 LMNA (0.70) ERN1LMNAKDM4EALDH1A1GLA
SCHEMBL3522968 0.72 ALDH1A1 (0.39) KDM4EALDH1A1GAAMAPTTSHR
SCHEMBL3988284 0.72 BRD4 (0.36) HSD17B1HSD17B2DYRK1ADYRK1B

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2061767-A1 ARYLAMINOARYL-ALKYL-SUBSTITUTED IMIDAZOLIDINE-2,4-DIONES, PROCESSES FOR PREPARING THEM, MEDICAMENTS COMPRISING THESE COMPOUNDS, AND THEIR USE Sanofi-Aventis (FR) 2009-05-27 EP disclosed
WO-2008017381-A1 ARYLAMINOARYL-ALKYL-SUBSTITUTED IMIDAZOLIDINE-2,4-DIONES, PROCESSES FOR PREPARING THEM, MEDICAMENTS COMPRISING THESE COMPOUNDS, AND THEIR USE SANOFI-AVENTIS (FR) 2008-02-14 WO disclosed