SCHEMBL11212949

SCHEMBL11212949

Brc1[c]c2ncccc2c(Br)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.44
HTT P42858 6/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
HSP90AA1 P07900 4/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
TDP1 Q9NUW8 3/20 0.44
TP53 P04637 3/20 0.44
USP2 O75604 1/20 0.44
AXL P30530 1/20 0.39
MAPT P10636 5/20 0.37
ALDH1A1 P00352 3/20 0.37
APAF1 O14727 1/20 0.37
TDP2 O95551 1/20 0.37
CASP3 P42574 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
NPSR1 Q6W5P4 2/20 0.34
RXFP1 Q9HBX9 1/20 0.34

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
SCHEMBL5731511 0.71 KMT2A (0.42) KDM4EHTTSMN1; SMN2HSP90AA1MEN1
SCHEMBL6270882 0.68 LMNA (0.43) KDM4EHTTSMN1; SMN2HSP90AA1MEN1
SCHEMBL23673237 0.68 CCR1 (0.35) KMT2AMAPTCYP1A2RAB9ACCR1
SCHEMBL9976765 0.67 KDM4E (0.66) KDM4EHTTSMN1; SMN2HSP90AA1MEN1
SCHEMBL7430263 0.67 MEN1 (0.32) HTTSMN1; SMN2MEN1KMT2AMAPT
SCHEMBL22116608 0.65 CCR1 (0.46) KDM4EHTTSMN1; SMN2HSP90AA1MEN1
SCHEMBL7302758 0.65 L3MBTL1 (0.46) KDM4EHTTSMN1; SMN2HSP90AA1MEN1
SCHEMBL4470656 0.64 HTT (0.52) KDM4EHTTSMN1; SMN2HSP90AA1MEN1
SCHEMBL22117512 0.64 MAPT (0.54) KDM4EHTTSMN1; SMN2HSP90AA1MEN1
SCHEMBL29551392 0.64 HTT (0.52) KDM4EHTTSMN1; SMN2HSP90AA1MEN1

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
US-4339581-A WATERBASED PAINTS UNION CARBIDE CORPORATION (US) 1982-07-13 US claimed