SCHEMBL19656987

SCHEMBL19656987

COC(=O)C1CCCc2c1cc(C)n2C

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AHR P35869 2/20 0.36
MTNR1A P48039 1/20 0.36
USP2 O75604 1/20 0.34
HSD17B10 Q99714 1/20 0.34
GFER P55789 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 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
SCHEMBL19656737 0.84 AHR (0.31) AHRMTNR1AMEN1MAPTKMT2A
SCHEMBL19644278 0.83 TP53 (0.37) MTNR1AMEN1ALDH1A1KMT2A
SCHEMBL19643518 0.75 MAPK1 (0.35) MTNR1A
SCHEMBL14637434 0.74 PLK1 (0.39) GFERMEN1KMT2A
SCHEMBL22492369 0.71 F12 (0.43) MEN1KMT2A
SCHEMBL19642831 0.71 CYP2C19 (0.36) HSD17B10MEN1ALDH1A1MAPTKMT2A
SCHEMBL19642830 0.71 CYP2C19 (0.36) HSD17B10MEN1ALDH1A1MAPTKMT2A
SCHEMBL19127980 0.70 KMT2A (0.33) MTNR1AALDH1A1KMT2A
SCHEMBL21160635 0.70 SIRT1 (0.34) MEN1ALDH1A1MAPTKMT2A
SCHEMBL19643018 0.70 HSD17B10 (0.33) HSD17B10ALDH1A1

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-2017205296-A1 AMINOACYLINDAZOLE IMMUNOMODULATORS FOR TREATMENT OF AUTOIMMUNE DISEASES THE ROCKEFELLER UNIVERSITY (US) 2017-11-30 WO disclosed