SCHEMBL9686349

SCHEMBL9686349

O=C1CCCc2nc3cnccc3c(NCc3ccccc3)c21

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.53
KDM4E B2RXH2 2/20 0.53
MEN1 O00255 1/20 0.53
HTT P42858 1/20 0.53
ACHE P22303 7/20 0.46
BCHE P06276 2/20 0.46
BACE1 P56817 1/20 0.46
EGFR P00533 1/20 0.44
POLB P06746 1/20 0.43
RAD52 P43351 1/20 0.43
PKM P14618 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAPKAPK2 P49137 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
SCHEMBL8984077 0.88 KMT2A (0.67) KMT2AKDM4EMEN1HTTACHE
SCHEMBL9873305 0.81 ACHE (0.69) KMT2AKDM4EMEN1HTTACHE
SCHEMBL9875927 0.81 ACHE (0.69) KMT2AKDM4EMEN1HTTACHE
SCHEMBL9875418 0.81 KDM4E (0.52) KMT2AKDM4EMEN1HTTACHE
SCHEMBL9875822 0.81 KMT2A (0.57) KMT2AKDM4EMEN1HTTACHE
SCHEMBL9875000 0.81 KDM4E (0.57) KMT2AKDM4EMEN1HTTACHE
SCHEMBL9873820 0.81 KDM4E (0.57) KMT2AKDM4EMEN1HTTACHE
SCHEMBL10847235 0.80 ACHE (0.69) KMT2AKDM4EMEN1HTTACHE
SCHEMBL10845414 0.80 ACHE (0.58) KMT2AKDM4EMEN1HTTACHE
SCHEMBL9876065 0.79 KMT2A (0.55) KMT2AKDM4EMEN1HTTACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4753950-A MEMORY ENHANCEMENT, ALZHEIMER*S DISEASE HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) 1988-06-28 US claimed
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