SCHEMBL19952884

SCHEMBL19952884

C#CCCCOc1cccnc1[18F]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.40
CHRNA6 Q15825 1/20 0.40
CHRNA4 P43681 1/20 0.39
RAB9A P51151 5/20 0.39
NPC1 O15118 4/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
RECQL P46063 1/20 0.39
MAPT P10636 2/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
ABCG2 Q9UNQ0 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
TDP1 Q9NUW8 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
SCHEMBL2601680 0.95 MEN1 (0.41) CHRNB2CHRNA6CHRNA4RAB9ANPC1
SCHEMBL20247449 0.79 CHRNB2 (0.42) CHRNB2CHRNA6CHRNA4RAB9ANPC1
SCHEMBL4807186 0.79 HTR1B (0.47) CHRNB2CHRNA6CHRNA4RAB9ANPC1
SCHEMBL12893078 0.77 CHRNB2 (0.47) CHRNB2CHRNA6CHRNA4RAB9ANPC1
SCHEMBL3433200 0.77 KDM4E (0.55) CHRNB2CHRNA6CHRNA4RAB9AMEN1
SCHEMBL23028310 0.76 MEN1 (0.45) CHRNB2CHRNA6CHRNA4MEN1KMT2A
SCHEMBL2601667 0.75 CHRNB2 (0.42) CHRNB2CHRNA4RAB9ANPC1MEN1
SCHEMBL920725 0.73 ABCG2 (0.33) MEN1KMT2ACYP1A2CYP2D6CYP2C9
SCHEMBL12880403 0.72 MCHR1 (0.47) CHRNB2CHRNA6CHRNA4MEN1KMT2A
SCHEMBL3764508 0.72 HTR1B (0.35) SMN1; SMN2KDM4EABCG2L3MBTL1TDP1

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
WO-2018048856-A1 METHOD FOR EFFICIENT RADIOLABELING OF BIOMOLECULES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-03-15 WO disclosed