SCHEMBL9156301

SCHEMBL9156301

CC(C)c1ccc2[nH]c(=O)cc(CCBr)c2c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 4/20 0.46
HTR1B P28222 3/20 0.44
KDM4E B2RXH2 3/20 0.43
GAA P10253 2/20 0.43
AR P10275 3/20 0.42
KIF11 P52732 1/20 0.39
CNR1 P21554 2/20 0.39
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
LMNA P02545 1/20 0.36
MAOA P21397 1/20 0.35
ACHE P22303 1/20 0.35
MAOB P27338 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
TNKS2 Q9H2K2 1/20 0.35

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
SCHEMBL9160413 0.86 KDM4E (0.46) HTR1DHTR1BKDM4EGAAAR
SCHEMBL9157725 0.81 ALDH1A1 (0.46) HTR1DKDM4EARALDH1A1HPGD
SCHEMBL19737586 0.77 LMNA (0.59) KDM4EGAAARKIF11ALDH1A1
SCHEMBL9156288 0.76 CNR1 (0.49) HTR1DHTR1BKDM4EGAACNR1
SCHEMBL9154966 0.75 ALDH1A1 (0.56) KDM4EGAAALDH1A1HPGDTSHR
SCHEMBL22643826 0.75 AR (0.56) HTR1DKDM4EGAAARKIF11
SCHEMBL10650676 0.74 KDM4E (0.54) KDM4EGAAARKIF11ALDH1A1
SCHEMBL38650847 0.74 KDM4E (0.54) KDM4EGAAARKIF11ALDH1A1
SCHEMBL9159477 0.73 CA12 (0.51) ALDH1A1NPSR1LMNA
SCHEMBL9153152 0.72 LMNA (0.42) KDM4EGAAKIF11ALDH1A1HPGD

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
US-5457099-A Carbostyril derivatives and antiallergic agent SAWAI PHARMACEUTICAL CO., LTD. (JP) 1995-10-10 US disclosed
EP-0577325-A1 Carbostyril derivatives and antiallergic agent SAWAI PHARMACEUTICAL CO., LTD. (JP) 1994-01-05 EP disclosed