SCHEMBL8445876

SCHEMBL8445876

CCc1nc2c(c(=O)n(C)c(=O)n2C)n1N(C)C

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.48
RXFP1 Q9HBX9 4/20 0.47
KMT2A Q03164 4/20 0.47
MEN1 O00255 2/20 0.47
LMNA P02545 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
HTT P42858 3/20 0.46
JAK2 O60674 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 2/20 0.45
CYP1A2 P05177 1/20 0.44
RECQL P46063 1/20 0.44
MAPK1 P28482 1/20 0.44
ALDH1A1 P00352 1/20 0.44
GLA P06280 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44

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
Hydrochloric Acid SCHEMBL8421637 0.98 TSHR (0.47) TSHRRXFP1KMT2AMEN1LMNA
Hydrochloric Acid SCHEMBL3418048 0.85 TSHR (0.46) TSHRRXFP1KMT2AMEN1LMNA
SCHEMBL515612 0.82 RXFP1 (0.60) TSHRRXFP1KMT2AMEN1CYP2C19
SCHEMBL684242 0.78 CYP2D6 (0.52) TSHRKMT2AMEN1LMNASMN1; SMN2
SCHEMBL1054300 0.78 CYP2C19 (0.50) TSHRRXFP1KMT2AMEN1CYP2C19
SCHEMBL8664912 0.78 TSHR (0.54) TSHRRXFP1KMT2AMEN1CYP2C19
SCHEMBL3455609 0.78 ADORA2B (0.52) TSHRRXFP1KMT2AMEN1CYP2C19
Hydrochloric Acid SCHEMBL11379641 0.77 CYP2D6 (0.51) TSHRKMT2AMEN1LMNASMN1; SMN2
SCHEMBL684262 0.76 TSHR (0.54) TSHRKMT2AMEN1LMNASMN1; SMN2
Hydrochloric Acid SCHEMBL11384933 0.75 SMN1; SMN2 (0.55) TSHRKMT2AMEN1LMNASMN1; SMN2

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-0642781-B1 Stable acid oil-in-water emulsions OREAL (FR) 1999-01-20 EP disclosed
EP-0642781-A1 Stable acid oil-in-water emulsions and compositions containing them L'OREAL (FR) 1995-03-15 EP disclosed