SCHEMBL8860187

SCHEMBL8860187

NN1C(=O)C(Cc2ccncc2)(Cc2ccncc2)c2ccccc21

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.66
CYP3A4 P08684 3/20 0.66
CYP1A2 P05177 2/20 0.66
CYP2C9 P11712 2/20 0.66
CYP2D6 P10635 1/20 0.66
CYP2C19 P33261 1/20 0.66
THPO P40225 1/20 0.66
MAPK1 P28482 1/20 0.63
KCNQ2 O43526 4/20 0.53
ALOX15 P16050 2/20 0.53
TSHR P16473 2/20 0.53
ATM Q13315 1/20 0.43
MAPT P10636 2/20 0.38
HSD17B10 Q99714 2/20 0.38
KDM4E B2RXH2 1/20 0.37
ESR1 P03372 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PDE4A P27815 2/20 0.36
PDE4B Q07343 2/20 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
SCHEMBL8295650 0.82 ALDH1A1 (0.66) ALDH1A1CYP3A4CYP1A2CYP2C9CYP2D6
Hydrochloric Acid SCHEMBL8300406 0.81 MAPK1 (0.65) ALDH1A1CYP3A4CYP1A2CYP2C9CYP2D6
Linopirdine SCHEMBL122699 0.79 ALDH1A1 (1.00) ALDH1A1CYP3A4CYP1A2CYP2C9CYP2D6
SCHEMBL8873154 0.78 ALDH1A1 (0.61) ALDH1A1CYP3A4CYP1A2CYP2C9CYP2D6
Linopirdine SCHEMBL360113 0.78 MAPK1 (0.97) ALDH1A1CYP3A4CYP1A2CYP2C9CYP2D6
SCHEMBL8807631 0.78 ALDH1A1 (0.97) ALDH1A1CYP3A4CYP1A2CYP2C9CYP2D6
Water SCHEMBL9388278 0.77 MAPK1 (0.61) ALDH1A1CYP3A4CYP1A2CYP2C9CYP2D6
Hydrochloric Acid SCHEMBL8806606 0.77 MAPK1 (0.95) ALDH1A1CYP3A4CYP1A2CYP2C9CYP2D6
Water SCHEMBL9388270 0.77 MAPK1 (0.61) ALDH1A1CYP3A4CYP1A2CYP2C9CYP2D6
SCHEMBL8874045 0.76 ALDH1A1 (0.62) ALDH1A1CYP3A4CYP1A2CYP2C9CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5464846-A Learning enhancement, Alzheimer's disease HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) 1995-11-07 US claimed
US-5686626-A COGNITION ACTIVATORS HOECHST MARION ROUSSEL, INC. (US) 1997-11-11 US disclosed
US-5621116-A CHEMICAL INTERMEDIATES; MEMORY ENHANCERS FOR TREATMENT OF ALZHEIMER*S, ANALGESICS, ANTICONVULSANTS HOECHST MARION ROUSSEL, INC. (US) 1997-04-15 US disclosed
US-5464846-A Learning enhancement, Alzheimer's disease HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) 1995-11-07 US disclosed
EP-0415102-B1 1,3-Dihydro-1-(pyridinylamino)-2H-indol-2-ones, a process for their preparation and their use as medicaments HOECHST ROUSSEL PHARMA (US) 1995-02-01 EP disclosed
US-5179119-A Cognition activators; alzheimer*s disease HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1993-01-12 US disclosed
US-5053511-A Analgesics; anticonvulsants; treatment for alzheimers disease HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1991-10-01 US disclosed
EP-0415102-A1 1,3-Dihydro-1-(pyridinylamino)-2H-indol-2-ones, a process for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1991-03-06 EP disclosed