SCHEMBL9686866

SCHEMBL9686866

Cn1ncc(C#N)c1NC1=CC(=O)CCC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.39
HTT P42858 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C19 P33261 2/20 0.38
MT-CO2 P00403 1/20 0.38
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TP53 P04637 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
HPGD P15428 1/20 0.34
PLK1 P53350 1/20 0.33
CSNK2A1 P68400 1/20 0.33
PLK3 Q9H4B4 1/20 0.33
MAPT P10636 1/20 0.33
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL10972458 0.77 MT-CO2 (0.49) MT-CO2ALDH1A1MEN1KMT2ALMNA
SCHEMBL10971680 0.77 POLB (0.44) POLBHTTSMN1; SMN2MT-CO2ALDH1A1
SCHEMBL10975832 0.73 HTR1A (0.34) POLBSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL9382020 0.70 EGFR (0.43) POLBSMN1; SMN2MT-CO2ALDH1A1MEN1
SCHEMBL9686975 0.69 MT-CO2 (0.41) POLBHTTMT-CO2ALDH1A1MEN1
SCHEMBL8984088 0.68 MT-CO2 (0.45) POLBSMN1; SMN2MT-CO2ALDH1A1MEN1
SCHEMBL9384694 0.68 EGFR (0.43) SMN1; SMN2ALDH1A1MEN1KMT2ATP53
SCHEMBL9689388 0.67 ALDH1A1 (0.44) SMN1; SMN2ALDH1A1MEN1KMT2ATP53
Hydrochloric Acid SCHEMBL9875354 0.67 MT-CO2 (0.44) POLBSMN1; SMN2MT-CO2ALDH1A1MEN1
SCHEMBL9876109 0.67 MT-CO2 (0.41) POLBSMN1; SMN2MT-CO2ALDH1A1MEN1

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