SCHEMBL28201774

SCHEMBL28201774

CCCCCCCCCCCCCCCCCC.CCN(N)C(=N)N

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SPHK2 Q9NRA0 1/20 0.50
SPHK1 Q9NYA1 1/20 0.50
TSHR P16473 3/20 0.38
THRB P10828 1/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38
NOS2 P35228 1/20 0.38
DNM1 Q05193 7/20 0.36
LMNA P02545 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HSD17B10 Q99714 1/20 0.36
EPHX1 P07099 1/20 0.36

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
Hydrochloric Acid SCHEMBL28202289 0.98 SPHK1 (0.48) SPHK2SPHK1TSHRTHRBMEN1
SCHEMBL27591516 0.88 SPHK2 (0.48) SPHK2SPHK1TSHRTHRBMEN1
SCHEMBL3093556 0.88 SPHK2 (0.48) SPHK2SPHK1TSHRTHRBMEN1
SCHEMBL9290902 0.88 SPHK2 (0.48) SPHK2SPHK1TSHRTHRBMEN1
SCHEMBL7852752 0.87
SCHEMBL4574081 0.86 SPHK2 (0.44) SPHK2SPHK1TSHRTHRBMEN1
Hydrochloric Acid SCHEMBL4575154 0.84 SPHK2 (0.43) SPHK2SPHK1NOS3NOS1NOS2
Iodide SCHEMBL5325538 0.84 SPHK2 (0.43) SPHK2SPHK1TSHRTHRBMEN1
SCHEMBL9290792 0.83
Sulfuric Acid SCHEMBL27931646 0.80 SPHK1 (0.41) SPHK2SPHK1DNM1

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
CN-107773486-A A kind of grease proofing hair conditioner of anticreep and preparation method thereof 南京禾文化创意有限公司 2018-03-09 CN disclosed