SCHEMBL21564541

SCHEMBL21564541

CSN1CCN(c2nc(CCCO)cn(Cc3ccc(F)cc3)c2=O)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
SRC P12931 3/20 0.39
FLT3 P36888 3/20 0.39
FYN P06241 2/20 0.39
SOS1 Q07889 1/20 0.38
FSCN1 Q16658 1/20 0.36
HDAC6 Q9UBN7 3/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ALDH1A1 P00352 1/20 0.34
GPR6 P46095 1/20 0.34
HTR3E A5X5Y0 1/20 0.34
HTR3B O95264 1/20 0.34
HTR3A P46098 1/20 0.34
HTR3D Q70Z44 1/20 0.34
HTR3C Q8WXA8 1/20 0.34
THRB P10828 2/20 0.33
MAPT P10636 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
BRD4 O60885 1/20 0.33

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
SCHEMBL21553124 0.89 HDAC6 (0.44) CYP11B1CYP11B2SOS1FSCN1HDAC6
SCHEMBL21564557 0.88 CYP11B1 (0.44) CYP11B1CYP11B2ALDH1A1MAPTBRD4
SCHEMBL21553162 0.85 KDM1A (0.42) CYP11B1CYP11B2SRCFLT3FYN
SCHEMBL21564667 0.84 ALDH1A1 (0.33) NPSR1ALDH1A1MAPT
SCHEMBL21564673 0.83 CYP11B1 (0.42) CYP11B1CYP11B2SRCFLT3FYN
SCHEMBL21564851 0.82 CYP11B1 (0.41) CYP11B1CYP11B2SRCFLT3FYN
SCHEMBL21564668 0.82 SRC (0.44) SRCFLT3FYNSOS1HDAC6
SCHEMBL21553021 0.80 GAA (0.42) CYP11B1CYP11B2HDAC6BRD4
SCHEMBL21564672 0.79 CYP11B1 (0.39) CYP11B1CYP11B2HDAC6NPSR1BRD4
SCHEMBL21564585 0.78

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-2019217972-A1 KDM1A INHIBITORS FOR THE TREATMENT OF DISEASE IMAGO BIOSCIENCES, INC. (US) 2019-11-14 WO disclosed