SCHEMBL5282609

SCHEMBL5282609

CCN1C=CN(c2ccccc2)C1c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.35
MAPT P10636 3/20 0.35
CHRNA7 P36544 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
CYP1A2 P05177 2/20 0.34
ATM Q13315 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
HTT P42858 2/20 0.33
LMNA P02545 2/20 0.33
TSHR P16473 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
RECQL P46063 1/20 0.33
MAPK1 P28482 1/20 0.33
POLB P06746 1/20 0.33
ALDH1A1 P00352 4/20 0.31
GAA P10253 2/20 0.31
KDM4E B2RXH2 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
SCHEMBL5287089 0.86 DRD2 (0.39) NPSR1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL3457600 0.85 ATM (0.40) NPSR1SMN1; SMN2MEN1KMT2AATM
SCHEMBL5292670 0.83 SMN1; SMN2 (0.36) NPSR1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL5304165 0.82 KCNH2 (0.35) NPSR1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL5301924 0.81 KCNH2 (0.37) NPSR1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL5286866 0.81 KCNH2 (0.37) NPSR1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL5307147 0.81 KCNH2 (0.37) NPSR1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL5293640 0.81 KCNH2 (0.37) NPSR1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL5298297 0.81 KCNH2 (0.37) NPSR1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL5288046 0.81 KCNH2 (0.37) NPSR1MAPTSMN1; SMN2MEN1KMT2A

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