SCHEMBL28028515

SCHEMBL28028515

Cc1cc(O)ccc1CCBr

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TYR P14679 5/20 0.45
ESR2 Q92731 5/20 0.44
ESR1 P03372 4/20 0.44
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CYP3A4 P08684 2/20 0.39
ALOX15 P16050 2/20 0.39
TP53 P04637 1/20 0.39
ALOX5 P09917 1/20 0.39
MAPT P10636 1/20 0.39
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CHRM1 P11229 1/20 0.38
MAOA P21397 1/20 0.38
TBXA2R P21731 1/20 0.38
ADRA1A P35348 1/20 0.38
HTR2B P41595 1/20 0.38

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
SCHEMBL8752791 0.87 TYR (0.58) TYRESR2ESR1MEN1KMT2A
SCHEMBL27885749 0.83 CYP3A4 (0.41) TYRESR2MEN1KMT2ACYP3A4
SCHEMBL31553272 0.81 TYR (0.52) TYRESR2ESR1MEN1KMT2A
SCHEMBL10938397 0.81 TYR (0.58) TYRESR2ESR1MEN1KMT2A
SCHEMBL2328433 0.81 TYR (0.52) TYRESR2ESR1MEN1KMT2A
SCHEMBL11796041 0.81 TYR (0.58) TYRESR2ESR1MEN1KMT2A
SCHEMBL4393973 0.79 TAAR1 (0.52) TYRESR2ESR1MEN1KMT2A
SCHEMBL28108641 0.79 TYR (0.45) TYRESR2ESR1MEN1KMT2A
SCHEMBL29712517 0.78 TAAR1 (0.42) MEN1KMT2ATP53MAPTHTT
SCHEMBL7061982 0.78 TAAR1 (0.42) MEN1KMT2ATP53MAPTHTT

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-105209448-A Tricyclic compounds and uses thereof SK CHEMICALS CO LTD 2015-12-30 CN disclosed