SCHEMBL28348159

SCHEMBL28348159

CCCCCCCCCCCCCc1ccc(-c2ccc3c(Br)csc3c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.46
TSHR P16473 1/20 0.46
RARB P10826 8/20 0.45
RARA P10276 2/20 0.45
RARG P13631 1/20 0.45
ALDH1A1 P00352 3/20 0.44
MEN1 O00255 2/20 0.44
MAPT P10636 2/20 0.44
KMT2A Q03164 2/20 0.44
MTOR P42345 1/20 0.44
KDM4E B2RXH2 3/20 0.41
ESR1 P03372 2/20 0.41
ADRA2A P08913 2/20 0.41
ADORA3 P0DMS8 2/20 0.41
TACR2 P21452 2/20 0.41
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
SLC6A3 Q01959 2/20 0.41
LMNA P02545 1/20 0.41
SHBG P04278 1/20 0.41

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
SCHEMBL28351533 1.00 HSD17B10 (0.46) HSD17B10TSHRRARBRARARARG
SCHEMBL28351962 1.00 HSD17B10 (0.46) HSD17B10TSHRRARBRARARARG
SCHEMBL28882110 1.00 HSD17B10 (0.46) HSD17B10TSHRRARBRARARARG
SCHEMBL28348375 1.00 HSD17B10 (0.46) HSD17B10TSHRRARBRARARARG
SCHEMBL28352047 0.99 RARB (0.43) HSD17B10TSHRRARBRARARARG
SCHEMBL28348703 0.82 RAB9A (0.36) HSD17B10ALDH1A1MEN1MAPTKMT2A
SCHEMBL18470324 0.78 HSD17B10 (0.49) HSD17B10TSHRRARBRARARARG
SCHEMBL28348588 0.78 RARB (0.41) RARBRARARARGALDH1A1MEN1
SCHEMBL28351620 0.78 RARB (0.41) RARBRARARARGALDH1A1MEN1
SCHEMBL15581024 0.76 HSD17B10 (0.47) HSD17B10TSHRRARBRARARARG

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-110734452-A semiconductor materials, and preparation method and application thereof 北京大学深圳研究生院 2020-01-31 CN disclosed