SCHEMBL27367559

SCHEMBL27367559

CC(Br)c1c(Br)cccc1C#N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.40
TSHR P16473 1/20 0.38
LMNA P02545 1/20 0.37
ALDH1A1 P00352 6/20 0.35
HPGD P15428 4/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
KDM4E B2RXH2 2/20 0.35
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
POLB P06746 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
MEN1 O00255 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL26349030 0.86 DYRK1A (0.41) DYRK1ATSHRLMNAALDH1A1HPGD
SCHEMBL12490213 0.83 DYRK1A (0.39) DYRK1ATSHRLMNAALDH1A1HPGD
SCHEMBL10830794 0.79 ALDH1A1 (0.38) ALDH1A1
SCHEMBL30950508 0.78 DYRK1A (0.41) DYRK1ATSHRLMNANPC1RAB9A
SCHEMBL27475655 0.78 POLB (0.45) TSHRALDH1A1SMN1; SMN2KDM4EPOLB
SCHEMBL28044155 0.77 GABRA1 (0.39) TSHRLMNAALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL807524 0.74 TSHR (0.46) TSHRALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL3112611 0.74 NOTUM (0.40) LMNAALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL27912602 0.73 TDP1 (0.42) TSHRALDH1A1HPGDSMN1; SMN2POLB
SCHEMBL2885020 0.71 P2RX7 (0.40) TSHRLMNAALDH1A1HPGDCA1

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-1052672-A Benzofuran derivative GLAXO GROUP LTD (GB) 1991-07-03 CN disclosed