SCHEMBL23130548

SCHEMBL23130548

N#COCC1CCCCC(COC#N)C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38
CTSK P43235 1/20 0.38
CCNA2 P20248 1/20 0.31
CDK2 P24941 1/20 0.31
CCNA1 P78396 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
ALOX12 P18054 1/20 0.31
BRCA1 P38398 1/20 0.31
HTT P42858 1/20 0.31
RECQL P46063 1/20 0.31
KMT2A Q03164 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL3273262 0.95 CTSL (0.34) CTSLCTSBCTSK
SCHEMBL22899073 0.89 CTSL (0.32) CTSLCTSBCTSK
SCHEMBL2336763 0.88 CTSK (0.48) CTSLCTSBCTSKCCNA2CDK2
SCHEMBL18467685 0.86 CTSL (0.30) CTSLCTSBCTSK
SCHEMBL17299362 0.86 CTSL (0.30) CTSLCTSBCTSK
SCHEMBL21180208 0.81 CTSL (0.30) CTSLCTSBCTSK
SCHEMBL23005625 0.81
SCHEMBL24404216 0.81
SCHEMBL20717666 0.79 CTSL (0.34) CTSLCTSBCTSK
SCHEMBL20717853 0.79 CTSL (0.34) CTSLCTSBCTSK

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-3564318-B1 AQUEOUS DISPERSION, METHOD FOR PRODUCING SAME AND IMAGE FORMATION METHOD FUJIFILM CORP (JP) 2021-11-03 EP disclosed
EP-3795564-A1 COMPOUND, CURABLE AGENT COMPOSITION, RESIN COMPOSITION, COATING COMPOSITION AND RESIN CURED PRODUCT Asahi Kasei Kabushiki Kaisha (JP) 2021-03-24 EP disclosed