SCHEMBL28053405

SCHEMBL28053405

C=Cc1ccc(C#N)c(C#N)c1C#N.O=C(O)CCCBr

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 1/20 0.33
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
KDM5B Q9UGL1 2/20 0.32
KDM4A O75164 1/20 0.32
FFAR1 O14842 2/20 0.30
FFAR4 Q5NUL3 1/20 0.30

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
Styrene SCHEMBL28053339 0.72 FFAR1 (0.31) SLC22A12ALDH1A1FFAR1
SCHEMBL28183481 0.69 SMN1; SMN2 (0.33) NPC1ALDH1A1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL6419662 0.65 KMT2A (0.36) ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL19873366 0.64 TDP1 (0.33)
Acetonitrile SCHEMBL28323144 0.64 LMNA (0.46) ALDH1A1FFAR1FFAR4
SCHEMBL60842 0.63 SMN1; SMN2 (0.37) ALDH1A1SMN1; SMN2
SCHEMBL887802 0.63 LMNA (0.62) ALDH1A1FFAR1FFAR4
SCHEMBL26511 0.63
Hydrochloric Acid SCHEMBL311494 0.61
SCHEMBL11831774 0.61

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-105445241-A Method for highly selectively detecting concentration of hydrazine JINJIANG SHANGJING FUBEN ENVRIONMENTAL PROT TECH CO LTD 2016-03-30 CN disclosed