SCHEMBL9686975

SCHEMBL9686975

N#Cc1ccncc1NC1=CC(=O)CCC1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MT-CO2 P00403 1/20 0.41
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
KDM4C Q9H3R0 5/20 0.36
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
BRAF P15056 1/20 0.34
AOC1 P19801 1/20 0.33
AOC3 Q16853 1/20 0.33
PRKCQ Q04759 1/20 0.32
PRKCD Q05655 1/20 0.32
HTT P42858 1/20 0.31
PDE9A O76083 1/20 0.31
CYP11B2 P19099 1/20 0.31

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
SCHEMBL8984088 0.80 MT-CO2 (0.45) MT-CO2KMT2AMEN1ALDH1A1POLB
Hydrochloric Acid SCHEMBL9875354 0.79 MT-CO2 (0.44) MT-CO2KMT2AMEN1ALDH1A1POLB
SCHEMBL9875746 0.76 MT-CO2 (0.41) MT-CO2KMT2AMEN1ALDH1A1POLB
SCHEMBL9876109 0.76 MT-CO2 (0.41) MT-CO2KMT2AMEN1ALDH1A1POLB
SCHEMBL9875536 0.76 MT-CO2 (0.55) MT-CO2KMT2AMEN1ALDH1A1POLB
Hydrochloric Acid SCHEMBL9874997 0.75 MT-CO2 (0.54) MT-CO2KMT2AMEN1ALDH1A1POLB
SCHEMBL10673681 0.73 MT-CO2 (0.55) MT-CO2KMT2AMEN1ALDH1A1POLB
SCHEMBL9875636 0.73 TAS2R14 (0.52) MT-CO2KMT2AMEN1POLB
Hydrochloric Acid SCHEMBL9875471 0.72 MT-CO2 (0.54) MT-CO2KMT2AMEN1ALDH1A1POLB
SCHEMBL3220136 0.72 PDE4B (0.45) MT-CO2KMT2AMEN1ALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0273176-B1 FUSED HETEROCYCLIC TETRAHYDROAMINOQUINOLINOLS AND RELATED COMPOUNDS, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1992-06-24 EP disclosed
EP-0273176-A2 Fused heterocyclic tetrahydroaminoquinolinols and related compounds, a process for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1988-07-06 EP disclosed
US-4753950-A MEMORY ENHANCEMENT, ALZHEIMER*S DISEASE HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) 1988-06-28 US disclosed