SCHEMBL18533749

SCHEMBL18533749

O=C(ON1CCC(C(=O)CBr)CC1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 3/20 0.43
CHRNB2 P17787 1/20 0.43
CHRNA5 P30532 1/20 0.43
CHRNA4 P43681 1/20 0.43
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
CARM1 Q86X55 2/20 0.39
PRMT6 Q96LA8 2/20 0.39
HTR2A P28223 1/20 0.39
PTPN1 P18031 1/20 0.39
GSK3B P49841 1/20 0.39
RAB9A P51151 1/20 0.38
F2 P00734 1/20 0.37
LMNA P02545 1/20 0.37
HTR3E A5X5Y0 1/20 0.37
HTR3B O95264 1/20 0.37
HTR3A P46098 1/20 0.37
HTR3D Q70Z44 1/20 0.37
HTR3C Q8WXA8 1/20 0.37
ABL1 P00519 1/20 0.36

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
SCHEMBL19186103 0.83 RAB9A (0.47) CHRNA7CHRNB2CHRNA5CHRNA4KMT2A
SCHEMBL20306078 0.82 KMT2A (0.44) CHRNA7CHRNB2CHRNA5CHRNA4KMT2A
SCHEMBL25629349 0.81 KMT2A (0.47) CHRNA7CHRNB2CHRNA5CHRNA4KMT2A
SCHEMBL27781385 0.79 KMT2A (0.46) CHRNA7CHRNB2CHRNA5CHRNA4KMT2A
SCHEMBL18821943 0.79 KMT2A (0.46) CHRNA7CHRNB2CHRNA5CHRNA4KMT2A
SCHEMBL20306077 0.78 ALDH1A1 (0.55) CHRNA7CHRNB2CHRNA5CHRNA4KMT2A
SCHEMBL28701143 0.78 MEN1 (0.57) KMT2AMEN1RAB9ATSHR
SCHEMBL26410686 0.78 NOTUM (0.51) CHRNA7CHRNB2CHRNA5CHRNA4KMT2A
SCHEMBL7499151 0.78 ACHE (0.59) KMT2AMEN1PTPN1TSHR
SCHEMBL27624527 0.77 ACHE (0.58) CHRNA7CHRNB2CHRNA5CHRNA4KMT2A

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
EP-2970305-B1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS INC (US) 2017-02-22 EP disclosed