SCHEMBL17276404

SCHEMBL17276404

O=C1CC(Sc2ccccc2C(F)(F)F)N1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 2/20 0.56
CRBN Q96SW2 2/20 0.56
NOTUM Q6P988 1/20 0.37
LDHA P00338 2/20 0.36
LDHB P07195 2/20 0.36
SCD O00767 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HTT P42858 1/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HTR2C P28335 7/20 0.35
HTR6 P50406 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TP53 P04637 1/20 0.34
HTR2A P28223 4/20 0.34
HTR2B P41595 4/20 0.34
LRRK2 Q5S007 1/20 0.34

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
SCHEMBL17276227 0.78 LDHA (0.38) DDB1CRBNNOTUMLDHALDHB
SCHEMBL9259633 0.75 CREBBP (0.44) DDB1CRBNALDH1A1
SCHEMBL17276266 0.72 MTNR1A (0.43) ALDH1A1KDM4ELMNAMAPTMEN1
SCHEMBL22623723 0.72 DDB1 (1.00) DDB1CRBN
SCHEMBL8439622 0.71 DDB1 (0.56) DDB1CRBNALDH1A1KDM4EMEN1
SCHEMBL8863558 0.70 NOTUM (0.45) DDB1CRBNNOTUMALDH1A1KDM4E
SCHEMBL29484715 0.70 NOTUM (0.45) DDB1CRBNNOTUMALDH1A1KDM4E
SCHEMBL17276250 0.70 DDB1 (0.55) DDB1CRBNNOTUMHTR2C
SCHEMBL11036165 0.70 CRBN (0.47) DDB1CRBNALDH1A1KDM4EMAPT
SCHEMBL8439360 0.70 CRBN (0.47) DDB1CRBNALDH1A1KDM4EMAPT

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-2015179293-A1 SMALL MOLECULE ACTIVATORS AND INHIBITORS OF LECITHIN: CHOLESTEROL ACYLTRANSFERASE THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2015-11-26 WO claimed