SCHEMBL5286892

SCHEMBL5286892

CCCCCCCCCCCCCCCCCc1nc(CCCc2ccccc2)cn1C

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SPNS2 Q8IVW8 2/20 0.53
TLR8 Q9NR97 2/20 0.50
CYP19A1 P11511 6/20 0.49
HSD11B1 P28845 2/20 0.46
KCNH2 Q12809 2/20 0.46
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.41
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
HTR2A P28223 1/20 0.40

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
SCHEMBL5817546 1.00 SPNS2 (0.53) SPNS2TLR8CYP19A1HSD11B1KCNH2
SCHEMBL5819373 1.00 SPNS2 (0.53) SPNS2TLR8CYP19A1HSD11B1KCNH2
SCHEMBL5292769 1.00 SPNS2 (0.53) SPNS2TLR8CYP19A1HSD11B1KCNH2
SCHEMBL5810924 1.00 SPNS2 (0.53) SPNS2TLR8CYP19A1HSD11B1KCNH2
SCHEMBL5304085 1.00 SPNS2 (0.53) SPNS2TLR8CYP19A1HSD11B1KCNH2
SCHEMBL5814869 1.00 SPNS2 (0.53) SPNS2TLR8CYP19A1HSD11B1KCNH2
SCHEMBL5296554 1.00 SPNS2 (0.53) SPNS2TLR8CYP19A1HSD11B1KCNH2
SCHEMBL5288827 1.00 SPNS2 (0.53) SPNS2TLR8CYP19A1HSD11B1KCNH2
SCHEMBL5304779 1.00 SPNS2 (0.53) SPNS2TLR8CYP19A1HSD11B1KCNH2
SCHEMBL5297147 1.00 SPNS2 (0.53) SPNS2TLR8CYP19A1HSD11B1KCNH2

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
WO-2007006418-A1 IONIC-LIQUID-CONTAINING PRODUCTS FOR DYEING AND/OR BRIGHTENING KERATIN FIBRES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-01-18 WO disclosed
WO-2006131234-A1 COSMETIC COMPOSITIONS COMPRISING IONIC LIQUIDS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2006-12-14 WO disclosed