SCHEMBL19785619

SCHEMBL19785619

CCc1nnc(Nc2cc(C)cc(CN3CCN(C(=O)OC(C)C)CC3)c2C)o1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
FASN P49327 1/20 0.36
ATM Q13315 1/20 0.36
LMNA P02545 3/20 0.35
KMT2A Q03164 2/20 0.35
MAPK1 P28482 1/20 0.35
RORC P51449 1/20 0.34
MGLL Q99685 4/20 0.34
KDM4E B2RXH2 4/20 0.34
ALDH1A1 P00352 4/20 0.34
TP53 P04637 2/20 0.34
TSHR P16473 1/20 0.34
POLB P06746 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
SCHEMBL22383759 0.90 SMN1; SMN2 (0.38) SMN1; SMN2L3MBTL1FASNATMKMT2A
SCHEMBL22383769 0.88 SMN1; SMN2 (0.39) SMN1; SMN2L3MBTL1FASNATM
SCHEMBL22383774 0.87 MGLL (0.34) LMNAMAPK1RORCMGLLKDM4E
SCHEMBL19786031 0.87 RORC (0.36) SMN1; SMN2L3MBTL1FASNKMT2ARORC
SCHEMBL19786030 0.86 MGLL (0.33) ATMLMNAMAPK1RORCMGLL
SCHEMBL19786079 0.86 MGLL (0.34) LMNAMAPK1RORCMGLLKDM4E
SCHEMBL22383776 0.84 RORC (0.34) LMNAMAPK1RORCMGLLKDM4E
SCHEMBL19786025 0.84 MGLL (0.33) LMNAMAPK1RORCMGLLKDM4E
SCHEMBL22383768 0.82 FASN (0.36) SMN1; SMN2L3MBTL1FASNATMKMT2A
SCHEMBL19785803 0.82 RORC (0.51) L3MBTL1RORC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3484880-B1 HETEROAROMATIC MODULATORS OF THE RETINOID-RELATED ORPHAN RECEPTOR GAMMA LEO PHARMA AS (DK) 2020-09-02 EP disclosed
WO-2018011201-A1 HETEROAROMATIC MODULATORS OF THE RETINOID-RELATED ORPHAN RECEPTOR GAMMA LEO PHARMA A/S (DK) 2018-01-18 WO disclosed