SCHEMBL7106414

SCHEMBL7106414

CCC(NCCCN)NCCCN

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP2 P42575 2/20 0.39
CA12 O43570 2/20 0.39
F13A1 P00488 2/20 0.39
CA2 P00918 2/20 0.39
CYP1A2 P05177 2/20 0.39
ALOX15 P16050 2/20 0.39
CA4 P22748 2/20 0.39
CA6 P23280 2/20 0.39
CA5A P35218 2/20 0.39
THPO P40225 2/20 0.39
CA7 P43166 2/20 0.39
CA9 Q16790 2/20 0.39
CA14 Q9ULX7 2/20 0.39
CA5B Q9Y2D0 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CYP2C19 P33261 1/20 0.39
RECQL P46063 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TSHR P16473 2/20 0.38

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
SCHEMBL11093803 0.89 DNM1 (0.48) MEN1KMT2ATSHRDNM1ALDH1A1
SCHEMBL28958349 0.84
SCHEMBL6449754 0.83 CA12 (0.35) CA12CA2ALOX15CA4CA6
SCHEMBL1885258 0.80 DNM1 (0.36) CASP2CA12F13A1CA2CYP1A2
SCHEMBL26206 0.79 LMNA (0.44) CASP2CA12F13A1CA2CYP1A2
Hydrochloric Acid SCHEMBL3380033 0.78 DNM1 (0.39) CASP2CA12F13A1CA2CYP1A2
SCHEMBL6658508 0.78 DNM1 (0.40) CASP2CA12F13A1CA2CYP1A2
SCHEMBL6767087 0.78 TSHR (0.41) CA12CA2ALOX15CA7CA14
SCHEMBL8653758 0.77
SCHEMBL9472346 0.77

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-1282819-A1 METHOD FOR IMMOBILIZING RECOGNITION COMPONENTS ASULAB S.A. (CH) 2003-02-12 EP disclosed
WO-2001086298-A1 METHOD FOR IMMOBILIZING RECOGNITION COMPONENTS ASULAB S.A. (CH) 2001-11-15 WO disclosed