SCHEMBL17227620

SCHEMBL17227620

CC(C)(C#C/C=C/CNCc1cccc2ccccc12)CN=[N+]=[N-]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.43
▸ ADRA2A P08913 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ SLC6A2 P23975 1/20 0.43
▸ SQLE Q14534 1/20 0.43
▸ SIGMAR1 Q99720 1/20 0.43
▸ MC5R P33032 2/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ HPGD P15428 2/20 0.34
▸ MC1R Q01726 1/20 0.34
▸ SMPD1 P17405 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ DNM1 Q05193 1/20 0.31
▸ FOLH1 Q04609 1/20 0.31

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
SCHEMBL3252892 0.82 LMNA (0.47) LMNAADRA2ACYP2D6SLC6A2SQLE
SCHEMBL3252887 0.82 LMNA (0.47) LMNAADRA2ACYP2D6SLC6A2SQLE
SCHEMBL30960251 0.82 LMNA (0.60) LMNAADRA2ACYP2D6SLC6A2SQLE
SCHEMBL3256688 0.82 LMNA (0.60) LMNAADRA2ACYP2D6SLC6A2SQLE
SCHEMBL3256682 0.82 LMNA (0.60) LMNAADRA2ACYP2D6SLC6A2SQLE
SCHEMBL30960258 0.82 LMNA (0.60) LMNAADRA2ACYP2D6SLC6A2SQLE
SCHEMBL17121271 0.81 MC5R (0.38) LMNAADRA2ACYP2D6SLC6A2SQLE
SCHEMBL3251198 0.76 LMNA (0.46) LMNAADRA2ACYP2D6SLC6A2SQLE
SCHEMBL3251189 0.76 LMNA (0.46) LMNAADRA2ACYP2D6SLC6A2SQLE
SCHEMBL11001563 0.73 MC5R (0.42) LMNAADRA2ACYP2D6SLC6A2SQLE

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
EP-2939710-A1 Method to reduce substantivity of cloth staining caused by sunscreens Symrise AG (DE) 2015-11-04 — — EP disclosed
Send feedback