SCHEMBL7662963

SCHEMBL7662963

Fc1ccc(Cn2ccc3ccc(Br)cc32)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 1/20 0.54
FGFR4 P22455 1/20 0.54
HDAC8 Q9BY41 3/20 0.47
HDAC3 O15379 2/20 0.47
HDAC1 Q13547 2/20 0.47
HDAC2 Q92769 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
IDO1 P14902 1/20 0.45
BRD4 O60885 1/20 0.45
HTR2C P28335 2/20 0.43
HTR2A P28223 1/20 0.43
HTR7 P34969 4/20 0.43
HTR6 P50406 2/20 0.43
HDAC4 P56524 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
NCOR2 Q9Y618 1/20 0.42

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
SCHEMBL4941436 0.88 HDAC8 (0.56) FGFR1FGFR4HDAC8HDAC3HDAC1
SCHEMBL6086002 0.87 HTR2C (0.55) HDAC8HDAC3HDAC1HDAC2HDAC6
SCHEMBL6191087 0.86 FGFR1 (0.52) FGFR1FGFR4HDAC8HDAC3HDAC1
SCHEMBL3785959 0.84 FGFR1 (0.48) FGFR1FGFR4HDAC8HDAC3HDAC1
SCHEMBL4943583 0.84 HTR6 (0.58) FGFR1FGFR4HDAC8HDAC3HDAC1
SCHEMBL16044140 0.84 FGFR1 (0.51) FGFR1FGFR4HTR6EPHX2LMNA
SCHEMBL6087674 0.83 MAPT (0.53) FGFR1FGFR4HDAC8HDAC3HDAC1
SCHEMBL6087212 0.81 HTR2C (0.51) HDAC8HDAC3HDAC1HDAC2HDAC6
SCHEMBL4937426 0.81 CCR9 (0.55) FGFR1FGFR4HDAC8HDAC3HDAC1
SCHEMBL2279750 0.81 HDAC8 (0.64) FGFR1FGFR4HDAC8HDAC3HDAC1

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-6380249-B1 HIV integrase inhibitors MERCK & CO., INC. 2002-04-30 US disclosed