SCHEMBL9252230

SCHEMBL9252230

CCCCCCC[CH]NC(=N)N

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SPHK2 Q9NRA0 1/20 0.45
SPHK1 Q9NYA1 1/20 0.45
FAAH O00519 4/20 0.42
SOAT1 P35610 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
TP53 P04637 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
KDM4E B2RXH2 2/20 0.39
TSHR P16473 2/20 0.38
CNR1 P21554 1/20 0.36
EP300 Q09472 1/20 0.35
TRPV1 Q8NER1 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
Hydrochloric Acid SCHEMBL28273045 0.98 SPHK1 (0.43) SPHK2SPHK1FAAHSOAT1MEN1
SCHEMBL6373292 0.98 SPHK2 (0.41) SPHK2SPHK1FAAHSOAT1MEN1
SCHEMBL4281995 0.91
SCHEMBL2494175 0.82
SCHEMBL11802684 0.80 FAAH (0.48) SPHK2SPHK1FAAHSOAT1MEN1
SCHEMBL11802675 0.80 FAAH (0.48) SPHK2SPHK1FAAHSOAT1MEN1
SCHEMBL19921858 0.79 FAAH (0.52) FAAHSOAT1MEN1KMT2ATP53
SCHEMBL7994523 0.79 FAAH (0.52) FAAHSOAT1MEN1KMT2ATP53
SCHEMBL1415923 0.77 FAAH (0.48) FAAHSOAT1MEN1KMT2ATP53
SCHEMBL245695 0.74

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-5476870-A Immunosuppressants FOURNIER INDUSTRIE ET SANTE (FR) 1995-12-19 US disclosed