SCHEMBL20033947

SCHEMBL20033947

CCC(C)c1cnnn1-c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 11/20 0.44
TSHR P16473 1/20 0.40
ALDH1A1 P00352 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
NR4A3 Q92570 1/20 0.37
ELANE P08246 1/20 0.37
HIF1A Q16665 1/20 0.37

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
SCHEMBL9910775 0.83 HSD11B1 (0.47) HSD11B1TSHRALDH1A1NPSR1PTGS1
SCHEMBL13515230 0.75 MAPK1 (0.46) TSHRALDH1A1PTGS2NR4A3HIF1A
SCHEMBL28288415 0.74 HSD11B1 (0.54) HSD11B1ALDH1A1NR4A3
SCHEMBL2890820 0.74 HSD11B1 (0.60) HSD11B1TSHRALDH1A1NPSR1
SCHEMBL14793221 0.73 POLB (0.48) TSHRALDH1A1NPSR1NR4A3HIF1A
SCHEMBL15875209 0.71 HSD11B1 (0.42) HSD11B1TSHRPTGS1
SCHEMBL19158185 0.71 TSHR (0.33) TSHR
SCHEMBL1500290 0.71 TSHR (0.58) HSD11B1TSHRALDH1A1PTGS1PTGS2
SCHEMBL23871900 0.69 TSHR (0.32) HSD11B1TSHR
SCHEMBL13819946 0.68 ALDH1A1 (0.49) HSD11B1ALDH1A1

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
US-9941479-B2 Tetradentate cyclometalated platinum complexes containing 9,10-dihydroacridine and its analogues ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2018-04-10 US disclosed