SCHEMBL9988933

SCHEMBL9988933

O=C(CCc1cc(-c2cccc(F)c2)n(-c2ccccc2)n1)NCc1ccccc1F

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 2/20 0.58
CACNA1H O95180 2/20 0.58
MALT1 Q9UDY8 2/20 0.50
RXRA P19793 4/20 0.47
RXRB P28702 4/20 0.47
RXRG P48443 4/20 0.47
ALDH1A1 P00352 3/20 0.46
LMNA P02545 2/20 0.46
POLB P06746 2/20 0.45
MAPT P10636 1/20 0.45
MAPK1 P28482 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
P2RX7 Q99572 1/20 0.43
GAA P10253 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
HPGD P15428 2/20 0.42
ALOX5 P09917 1/20 0.42
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
PTGS1 P23219 1/20 0.41

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
SCHEMBL9988310 0.93 CACNA1G (0.50) CACNA1GCACNA1HMALT1RXRARXRB
SCHEMBL9989849 0.91 MALT1 (0.53) CACNA1GCACNA1HMALT1RXRARXRB
SCHEMBL9988512 0.89 MALT1 (0.57) CACNA1GCACNA1HMALT1RXRARXRB
SCHEMBL9989837 0.89 P2RX7 (0.48) CACNA1GCACNA1HMALT1RXRARXRB
SCHEMBL9988663 0.89 PTGS2 (0.48) CACNA1GCACNA1HMALT1RXRARXRB
SCHEMBL9989721 0.88 MALT1 (0.56) CACNA1GCACNA1HMALT1RXRARXRB
SCHEMBL9988569 0.84 MALT1 (0.51) CACNA1GCACNA1HMALT1RXRARXRB
SCHEMBL9988565 0.84 MALT1 (0.51) CACNA1GCACNA1HMALT1RXRARXRB
SCHEMBL9988397 0.84 CACNA1G (0.56) CACNA1GCACNA1HMALT1RXRARXRB
SCHEMBL9988840 0.84 MALT1 (0.52) CACNA1GCACNA1HMALT1RXRARXRB

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-2011161615-A1 5-LIPOXYGENASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2011-12-29 WO claimed
WO-2011161615-A1 5-LIPOXYGENASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2011-12-29 WO disclosed