SCHEMBL21391002

SCHEMBL21391002

CC(C)(O)c1ccc2nc(CCCC(=O)Cc3ccc(F)cc3)n(C3CCC3)c2n1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.34
CYP11B2 P19099 2/20 0.34
GNRHR P30968 1/20 0.33
ALK Q9UM73 5/20 0.33
NTRK1 P04629 1/20 0.33
INSR P06213 1/20 0.33
LCK P06239 1/20 0.33
LTK P29376 1/20 0.33
AXL P30530 1/20 0.33
FLT3 P36888 1/20 0.33
IRAK1 P51617 1/20 0.33
MAP4K2 Q12851 1/20 0.33
MERTK Q12866 1/20 0.33
RORC P51449 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
VNN1 O95497 1/20 0.32
ALDH1A1 P00352 1/20 0.31
HTR2C P28335 2/20 0.31

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
SCHEMBL21390711 0.83 CYP11B2 (0.32) CYP11B1CYP11B2SMN1; SMN2ALDH1A1AGTR1
SCHEMBL21391124 0.82 HTR3E (0.35) CYP11B2SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL21390999 0.81 JAK1 (0.34) RORCSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL21391001 0.80 ALDH1A1 (0.32) RORCSMN1; SMN2ALDH1A1
SCHEMBL21390782 0.79 RORC (0.30) RORC
SCHEMBL19278031 0.79 RORC (0.42) ALKNTRK1INSRLCKLTK
SCHEMBL21390955 0.78 ALDH1A1 (0.32) SMN1; SMN2ALDH1A1
SCHEMBL21391141 0.76 RORC (0.32) RORC
SCHEMBL21391000 0.76 PTGDR2 (0.33) GNRHRMEN1KMT2AAGTR1AGTR2
SCHEMBL21390907 0.75 RORC (0.32) RORC

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-2019183148-A1 KV7 CHANNEL ACTIVATORS COMPOSITIONS AND METHODS OF USE KNOPP BIOSCIENCES LLC (US) 2019-09-26 WO disclosed