SCHEMBL12901887

SCHEMBL12901887

O=C(CBr)NCCNC(=O)C1CC=CCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
ALOX15 P16050 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
ESR2 Q92731 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
RAB9A P51151 1/20 0.39
TDP1 Q9NUW8 1/20 0.36
MIF P14174 1/20 0.33
AANAT Q16613 1/20 0.31
POLB P06746 2/20 0.31
EPHX1 P07099 1/20 0.31
NAAA Q02083 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
SCHEMBL23374501 0.79 HSD17B10 (0.46) MEN1ALDH1A1MAPTALOX15HTT
SCHEMBL2404722 0.79 HSD17B10 (0.46) MEN1ALDH1A1MAPTALOX15HTT
SCHEMBL9925959 0.79 KMT2A (0.46) MEN1ALDH1A1MAPTALOX15HTT
SCHEMBL19974223 0.76 KMT2A (0.50) MEN1ALDH1A1MAPTALOX15HTT
SCHEMBL671223 0.75 ALDH1A1 (0.49) MEN1ALDH1A1MAPTALOX15HTT
SCHEMBL2407153 0.74 NAAA (0.60) POLBEPHX1NAAA
SCHEMBL18856666 0.72 ALDH1A1 (0.41) MEN1ALDH1A1MAPTALOX15HTT
SCHEMBL12830803 0.72 ALDH1A1 (0.41) MEN1ALDH1A1MAPTALOX15HTT
SCHEMBL16326261 0.70 EPHX2 (0.49) ALDH1A1KMT2AHSD17B10RAB9APOLB
SCHEMBL6965651 0.69 ALDH1A1 (0.53) MEN1ALDH1A1MAPTALOX15HTT

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-2011017382-A2 NANOFIBERS AND MORPHOLOGY SHIFTING MICELLES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-02-10 WO disclosed