SCHEMBL17870917

SCHEMBL17870917

Oc1cc(Br)c2ccccc2c1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.45
LMNA P02545 1/20 0.45
RCE1 Q9Y256 1/20 0.45
PTPN22 Q9Y2R2 1/20 0.43
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
KDM4E B2RXH2 3/20 0.42
HSP90AA1 P07900 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
USP2 O75604 1/20 0.42
TP53 P04637 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
IDO1 P14902 1/20 0.42
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
MAPT P10636 4/20 0.41
THRB P10828 1/20 0.41
POLB P06746 2/20 0.40
MCL1 Q07820 2/20 0.39
NSD2 O96028 1/20 0.39

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
SCHEMBL585863 0.83 HTT (0.53) HTTLMNARCE1MEN1KMT2A
SCHEMBL23087295 0.82 RCE1 (0.42) HTTLMNARCE1MEN1KMT2A
SCHEMBL28903660 0.81 HTT (0.56) HTTLMNAMEN1KMT2AKDM4E
SCHEMBL1956656 0.81 POLB (0.50) HTTLMNARCE1MEN1KMT2A
SCHEMBL5357175 0.81 IDO1 (0.42) HTTLMNARCE1MEN1KMT2A
SCHEMBL30915387 0.77 IDO1 (0.39) HTTLMNARCE1MEN1KMT2A
SCHEMBL9990219 0.77 EP300 (0.48) HTTLMNARCE1MEN1KMT2A
SCHEMBL6537018 0.77 HTT (0.63) HTTLMNARCE1MEN1KMT2A
SCHEMBL14922180 0.77 HTT (0.47) HTTLMNARCE1MEN1KMT2A
SCHEMBL30706587 0.77 CRHBP (0.39) HTTLMNARCE1MEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016105030-A1 ORGANIC LIGHT EMITTING COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME 주식회사 두산 2016-06-30 WO disclosed
WO-2016105030-A1 ORGANIC LIGHT EMITTING COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME 주식회사 두산 2016-06-30 WO disclosed