SCHEMBL8874241

SCHEMBL8874241

O=C(O)CC1(Cc2ccncc2)C(=O)N(N2CCOCC2)c2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.48
CYP3A4 P08684 3/20 0.48
CYP2C9 P11712 3/20 0.48
CYP1A2 P05177 2/20 0.48
CYP2C19 P33261 2/20 0.48
CYP2D6 P10635 1/20 0.48
THPO P40225 1/20 0.48
MAPK1 P28482 1/20 0.47
KDM4E B2RXH2 5/20 0.39
TSHR P16473 3/20 0.38
KCNQ2 O43526 1/20 0.38
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 2/20 0.38
MAPT P10636 2/20 0.38
NAMPT P43490 3/20 0.36
GLA P06280 1/20 0.36
POLB P06746 1/20 0.35
ATM Q13315 1/20 0.35
MEN1 O00255 1/20 0.35
USP2 O75604 1/20 0.35

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
SCHEMBL8873829 0.90 ALDH1A1 (0.55) ALDH1A1CYP3A4CYP2C9CYP1A2CYP2C19
SCHEMBL8874128 0.89 ALDH1A1 (0.50) ALDH1A1CYP3A4CYP2C9CYP1A2CYP2C19
SCHEMBL8874321 0.83 ALDH1A1 (0.44) ALDH1A1CYP3A4CYP2C9CYP1A2CYP2C19
SCHEMBL8873955 0.83 ATM (0.45) ALDH1A1CYP3A4CYP2C9CYP1A2CYP2C19
SCHEMBL8873879 0.82 ALDH1A1 (0.46) ALDH1A1CYP3A4CYP2C9CYP1A2CYP2C19
SCHEMBL8875173 0.80 ALDH1A1 (0.42) ALDH1A1CYP3A4CYP2C9CYP1A2CYP2C19
SCHEMBL8873140 0.79 ALDH1A1 (0.57) ALDH1A1CYP3A4CYP2C9CYP1A2CYP2C19
Hydrochloric Acid SCHEMBL8874374 0.78 MAPK1 (0.55) ALDH1A1CYP3A4CYP2C9CYP1A2CYP2C19
Hydrochloric Acid SCHEMBL9391508 0.77 MAPK1 (0.57) ALDH1A1CYP3A4CYP2C9CYP1A2CYP2C19
SCHEMBL8874764 0.76 KCNQ2 (0.50) ALDH1A1CYP3A4CYP2C9CYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1994007891-A1 1-SUBSTITUTED OXINDOLES AND AZAOXINDOLES AS NOVEL COGNITION ENHANCERS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1994-04-14 WO claimed
US-5597916-A 1 substituted oxindoles and azaoxindoles THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1997-01-28 US disclosed
US-5519132-A ALZHEIMER*S DISEASE, NERVOUS SYSTEM DISORDERS, PROMOTE RELEASE OF ACETYLCHOLINE THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-05-21 US disclosed
US-5428035-A Enhance the release of neurotransmitter acetylcholine and useful for treating alzheimer's disease and cognition activator THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1995-06-27 US disclosed
WO-1994007891-A1 1-SUBSTITUTED OXINDOLES AND AZAOXINDOLES AS NOVEL COGNITION ENHANCERS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1994-04-14 WO disclosed
US-5296478-A 1-substituted oxindoles as cognition enhancers THE DUPONT MERCK PHARMACEUTICAL CO. (US) 1994-03-22 US disclosed