SCHEMBL28201775

SCHEMBL28201775

CC(N)NC(=N)N.CCCCCCCCCCCCCCCCCC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 3/20 0.46
SPHK2 Q9NRA0 1/20 0.46
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
FAAH O00519 1/20 0.39
MAPK1 P28482 1/20 0.39
OPRM1 P35372 1/20 0.39
EPHX1 P07099 2/20 0.37
TP53 P04637 2/20 0.36
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
NOS2 P35228 1/20 0.35
CYP2D6 P10635 2/20 0.35
GMNN O75496 1/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
THPO P40225 1/20 0.35
MTOR P42345 1/20 0.35
BLM P54132 1/20 0.35
KDM4E B2RXH2 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
Hydrochloric Acid SCHEMBL28202290 0.98 SPHK1 (0.45) SPHK1SPHK2MEN1KMT2AFAAH
SCHEMBL6154815 0.83
Hydrochloric Acid SCHEMBL7294174 0.81
SCHEMBL13725523 0.81 ADH1B (0.47) SPHK1SPHK2MEN1KMT2AFAAH
SCHEMBL13587256 0.81 ADH1B (0.47) SPHK1SPHK2MEN1KMT2AFAAH
SCHEMBL1068405 0.81 ADH1B (0.47) SPHK1SPHK2MEN1KMT2AFAAH
Hydrochloric Acid SCHEMBL6273268 0.79 ADH1B (0.46) SPHK1SPHK2MEN1KMT2AFAAH
SCHEMBL4536662 0.77 SPHK1 (0.45) SPHK1SPHK2OPRM1TP53CYP2D6
SCHEMBL22209352 0.77 SPHK1 (0.45) SPHK1SPHK2OPRM1TP53CYP2D6
SCHEMBL28977889 0.77 SPHK1 (0.45) SPHK1SPHK2OPRM1TP53CYP2D6

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