SCHEMBL5085745

SCHEMBL5085745

CCCCC(N)CNCCCN

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP2 P42575 2/20 0.41
CA12 O43570 2/20 0.41
F13A1 P00488 2/20 0.41
CA2 P00918 2/20 0.41
CYP1A2 P05177 2/20 0.41
ALOX15 P16050 2/20 0.41
CA4 P22748 2/20 0.41
CA6 P23280 2/20 0.41
CA5A P35218 2/20 0.41
THPO P40225 2/20 0.41
CA7 P43166 2/20 0.41
CA9 Q16790 2/20 0.41
CA14 Q9ULX7 2/20 0.41
CA5B Q9Y2D0 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CYP2C19 P33261 1/20 0.41
RECQL P46063 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ANPEP P15144 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
SCHEMBL8435126 0.92 TDP1 (0.43) CA12CA2ALOX15CA4CA6
SCHEMBL12952257 0.90 GNAI3 (0.42) CA12F13A1CA2CYP1A2ALOX15
SCHEMBL17336285 0.90 TSHR (0.44) MEN1KMT2AANPEPERAP2TSHR
SCHEMBL6862210 0.87 CA12 (0.48) CASP2CA12F13A1CA2CYP1A2
SCHEMBL5499167 0.87 CA12 (0.48) CASP2CA12F13A1CA2CYP1A2
SCHEMBL6431470 0.87 CA12 (0.48) CASP2CA12F13A1CA2CYP1A2
SCHEMBL7208317 0.87 GNAI3 (0.51) MEN1KMT2AANPEPERAP2TSHR
SCHEMBL7206054 0.87 GNAI3 (0.51) MEN1KMT2AANPEPERAP2TSHR
SCHEMBL11410868 0.86 ANPEP (0.39) MEN1KMT2AANPEPERAP2TSHR
SCHEMBL30512648 0.86 TSHR (0.41) CA12CA2CA4CA6CA5A

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
US-7354959-B2 Water-based inks for hydrogel lenses NOVARTIS AG (CH) 2008-04-08 US disclosed
US-20070027228-A1 Water-based inks for hydrogel lenses ALCON INC. (CH) 2007-02-01 US disclosed