SCHEMBL9245246

SCHEMBL9245246

CC(O)CN(CCN)NCCNCCN

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
TDP1 Q9NUW8 3/20 0.38
CA12 O43570 3/20 0.38
CA6 P23280 3/20 0.38
CA7 P43166 3/20 0.38
CA9 Q16790 3/20 0.38
CA14 Q9ULX7 3/20 0.38
CA5B Q9Y2D0 3/20 0.38
LMNA P02545 2/20 0.38
CA2 P00918 2/20 0.38
CA3 P07451 2/20 0.38
CA4 P22748 2/20 0.38
CA5A P35218 2/20 0.38
CA1 P00915 1/20 0.38
ALOX15 P16050 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.34

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
SCHEMBL9064146 0.79 CA12 (0.55) CYP2C9CYP2C19TDP1CA12CA6
SCHEMBL1234728 0.79 CA12 (0.55) CYP2C9CYP2C19TDP1CA12CA6
Edetol SCHEMBL25180337 0.78 CA12 (0.44) CYP2C9CYP2C19TDP1CA12CA6
SCHEMBL14980609 0.77 CYP2C19 (0.47) CYP2C9CYP2C19TDP1CA12CA6
SCHEMBL11427381 0.76 CA12 (0.46) CYP2C9CYP2C19TDP1CA12CA6
SCHEMBL15968113 0.75 CYP2C9 (0.45) CYP2C9CYP2C19TDP1CA12CA6
SCHEMBL10884117 0.74 CYP2C19 (0.48) CYP2C9CYP2C19TDP1CA12CA6
SCHEMBL28268287 0.74 CYP2C19 (0.46) CYP2C9CYP2C19TDP1CA12CA6
SCHEMBL5999892 0.72 TDP1 (0.31) TDP1
SCHEMBL27383862 0.71 CA12 (0.55) CYP2C9CYP2C19TDP1CA12CA6

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5385952-A Flame resistant rigid polyurethane foams containing phosphorus and a halogen BASF CORPORATION (US) 1995-01-31 US disclosed