SCHEMBL29324209

SCHEMBL29324209

NCCn1ccc(=O)c2cc(F)ccc21

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.50
GSK3B P49841 1/20 0.44
PLK1 P53350 2/20 0.41
CDK4 P11802 1/20 0.39
CCND1 P24385 1/20 0.39
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
KMT2A Q03164 1/20 0.38
ICMT O60725 2/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
NR3C1 P04150 3/20 0.37
PGR P06401 3/20 0.37
NR3C2 P08235 3/20 0.37

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
SCHEMBL8959780 0.77 HTR2C (0.59) HTR6CDK4CCND1HTR2AHTR2C
SCHEMBL10627404 0.75 KDM4E (0.51) GSK3BPLK1MEN1POLBKMT2A
SCHEMBL5316613 0.74 MAPT (0.47) HTR6MEN1POLBKMT2A
SCHEMBL28651148 0.73 HTR2C (0.59) CDK4CCND1HTR2AHTR2C
SCHEMBL21863275 0.73 KDM4E (0.43) CDK4CCND1POLBKMT2AHTR2A
SCHEMBL8959699 0.72 HTR2A (0.63) HTR6ICMTHTR2AHTR2C
SCHEMBL29324199 0.71 PLK1 (0.46) PLK1NR3C1PGRNR3C2
Fumaric Acid SCHEMBL8959697 0.70 HTR2A (0.48) HTR6CDK4CCND1HTR2AHTR2C
Fumaric Acid SCHEMBL8959686 0.70 HTR2A (0.48) HTR6CDK4CCND1HTR2AHTR2C
SCHEMBL21848998 0.70 RORA (0.48) NR3C1PGRNR3C2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024151425-A1 COMPOUNDS AND METHOD FOR TREATING HIV INFECTION THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2024-07-18 WO disclosed