SCHEMBL3726840

SCHEMBL3726840

NCCCNC(N)N(CCCN)CCCN

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.35
ALOX15 P16050 3/20 0.35
CASP2 P42575 2/20 0.35
CA12 O43570 2/20 0.35
F13A1 P00488 2/20 0.35
CA2 P00918 2/20 0.35
CYP1A2 P05177 2/20 0.35
CA4 P22748 2/20 0.35
CA6 P23280 2/20 0.35
CA5A P35218 2/20 0.35
THPO P40225 2/20 0.35
CA7 P43166 2/20 0.35
CA9 Q16790 2/20 0.35
CA14 Q9ULX7 2/20 0.35
CA5B Q9Y2D0 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
CYP2C19 P33261 1/20 0.35
RECQL P46063 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL5712282 0.76 CYP2C9 (0.31) CA12CA6CA7CA9CA14
SCHEMBL28385885 0.69
SCHEMBL11236610 0.69 TDP1 (0.31) TDP1
SCHEMBL27418124 0.69 TDP1 (0.46) TDP1CYP2C19CYP2C9
SCHEMBL8837096 0.67 CA12 (0.40) TDP1ALOX15CASP2CA12F13A1
SCHEMBL11236612 0.67 TDP1 (0.48) TDP1ALOX15CASP2CA12F13A1
SCHEMBL350425 0.66 CA12 (0.47) TDP1ALOX15CASP2CA12F13A1
SCHEMBL6399698 0.65
SCHEMBL1965547 0.65
SCHEMBL22363219 0.65 TDP1 (0.47) TDP1ALOX15CASP2CA12F13A1

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-7825208-B2 Golf equipment formed from amine-adduct modified polyurea compositions ACUSHNET COMPANY (US) 2010-11-02 US disclosed
US-20060178233-A1 Golf equipment formed from amine-adduct modified polyurea compositions JPMORGAN CHASE BANK, N.A., AS SUCCESSOR ADMINISTRATIVE AGENT 2006-08-10 US disclosed