SCHEMBL7753544

SCHEMBL7753544

CCCCCN(C#N)C(N)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ZDHHC20 Q5W0Z9 3/20 0.40
ZDHHC2 Q9UIJ5 1/20 0.40
CES2 O00748 4/20 0.33
CES1 P23141 4/20 0.33
DNM1 Q05193 3/20 0.33
GBA1 P04062 1/20 0.33
MEN1 O00255 1/20 0.33
FAAH O00519 1/20 0.33
TP53 P04637 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
SOAT1 P35610 1/20 0.33
KMT2A Q03164 1/20 0.33
EPHX2 P34913 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA9 Q16790 1/20 0.32
AKR1B1 P15121 1/20 0.32
S1PR2 O95136 1/20 0.32

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
SCHEMBL8253430 0.82 ZDHHC20 (0.42) ZDHHC20ZDHHC2MEN1KMT2AEPHX2
SCHEMBL7686630 0.82 CES2 (0.34) ZDHHC20ZDHHC2CES2CES1DNM1
SCHEMBL10647713 0.82 ZDHHC20 (0.41) ZDHHC20ZDHHC2CES2CES1DNM1
SCHEMBL10954933 0.80 ZDHHC20 (0.45) ZDHHC20ZDHHC2DNM1MEN1KMT2A
SCHEMBL28451419 0.80 ZDHHC20 (0.44) ZDHHC20ZDHHC2CES2CES1DNM1
SCHEMBL11445363 0.80 ZDHHC20 (0.40) ZDHHC20ZDHHC2CES2CES1DNM1
SCHEMBL1205488 0.80 SPHK2 (0.39) ZDHHC20ZDHHC2DNM1CA12CA1
SCHEMBL10881427 0.80 ZDHHC20 (0.44) ZDHHC20ZDHHC2CES2CES1DNM1
SCHEMBL1937313 0.78 SPHK2 (0.42) ZDHHC20ZDHHC2DNM1GBA1MEN1
SCHEMBL1937984 0.78 SPHK2 (0.42) ZDHHC20ZDHHC2DNM1GBA1MEN1

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
JP-2001261630-A METHOD FOR PRODUCING CYANOACYLUREA COMPOUNDS MITSUI CHEMICALS INC 2001-09-26 JP disclosed