SCHEMBL21732285

SCHEMBL21732285

CC1CC(c2cccc(F)c2)N(c2ccc(NC(=O)C3NCc4cc([S+](C)[O-])ccc43)cn2)C1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 7/20 0.35
NTRK1 P04629 7/20 0.35
RORC P51449 10/20 0.35
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SLC6A9 P48067 1/20 0.32
NR3C2 P08235 1/20 0.32

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
SCHEMBL21732284 0.88 RORC (0.49) JAK2NTRK1RORC
SCHEMBL21732296 0.86 RORC (0.37) JAK2NTRK1RORC
SCHEMBL21732198 0.83 NTRK1 (0.37) JAK2NTRK1RORC
SCHEMBL21732072 0.80 NTRK1 (0.41) JAK2NTRK1
SCHEMBL21732225 0.77 RORC (0.37) JAK2NTRK1RORC
SCHEMBL21732220 0.74 NTRK1 (0.44) JAK2NTRK1
SCHEMBL21732295 0.74 RORC (0.51) RORC
SCHEMBL21732282 0.72 NTRK1 (0.40) JAK2NTRK1SLC6A9NR3C2
SCHEMBL21723531 0.68 NTRK1 (0.40) JAK2NTRK1SLC6A9NR3C2
SCHEMBL21723160 0.67 HDAC1 (0.40) JAK2NTRK1SLC6A9NR3C2

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-2020035557-A1 NOVEL HETEROAROMATIC MODULATORS OF THE RETINOID-RELATED ORPHAN RECEPTOR GAMMA LEO PHARMA A/S (DK) 2020-02-20 WO disclosed