SCHEMBL3158951

SCHEMBL3158951

CCC(N)CCNCCCNCCCN

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.48
CA6 P23280 4/20 0.48
CA7 P43166 4/20 0.48
CA9 Q16790 4/20 0.48
CA14 Q9ULX7 4/20 0.48
CA5B Q9Y2D0 4/20 0.48
CA2 P00918 3/20 0.48
CA4 P22748 3/20 0.48
CA5A P35218 3/20 0.48
CYP1A2 P05177 3/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
CYP2C19 P33261 3/20 0.48
CASP2 P42575 2/20 0.48
F13A1 P00488 2/20 0.48
ALOX15 P16050 2/20 0.48
THPO P40225 2/20 0.48
RECQL P46063 2/20 0.48
HSD17B10 Q99714 1/20 0.48
CA3 P07451 2/20 0.46

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
SCHEMBL14163240 0.98 CA12 (0.50) CA12CA6CA7CA9CA14
Ammonia Solution, Strong SCHEMBL6723792 0.96 CA12 (0.48) CA12CA6CA7CA9CA14
SCHEMBL31139219 0.90 CA12 (0.50) CA12CA6CA7CA9CA14
SCHEMBL22345317 0.85 CA12 (0.43) CA12CA6CA7CA9CA14
SCHEMBL433529 0.85 CYP2C19 (0.36) CA12CA6CA7CA9CA14
SCHEMBL8850832 0.85 TSHR (0.42) CA12CA6CA7CA9CA14
SCHEMBL28111017 0.84 HRH3 (0.39) MEN1KMT2ACYP2C19TSHRGLA
SCHEMBL3069983 0.83 CA12 (0.52) CA12CA6CA7CA9CA14
SCHEMBL19214781 0.83 TSHR (0.46) CA2CYP1A2MEN1KMT2ACYP2C19
SCHEMBL25989954 0.81 TSHR (0.56) CYP1A2CYP2C19TSHR

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-20100004342-A1 LFA-1 Inhibitors and Use Thereof SODA KUNIYASU 2010-01-07 US disclosed
US-20060281820-A1 Lfa-1 inhibitors and use thereof SODA KUNIYASU 2006-12-14 US disclosed