SCHEMBL9764967

SCHEMBL9764967

CC(=O)n1c2ccccc2c2cc(CCN(O)C(N)=O)ccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.51
LMNA P02545 3/20 0.48
KDM4E B2RXH2 2/20 0.46
MAPK1 P28482 1/20 0.46
NPY5R Q15761 1/20 0.45
MCHR2 Q969V1 4/20 0.44
MAPT P10636 1/20 0.42
ALOX5 P09917 1/20 0.39
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
HSD17B10 Q99714 1/20 0.38
DRD2 P14416 1/20 0.37
SLC6A4 P31645 1/20 0.37
KCNH2 Q12809 1/20 0.37
P2RX4 Q99571 1/20 0.36
TSPO P30536 1/20 0.36
HTR7 P34969 1/20 0.36
SMPD1 P17405 1/20 0.36

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
SCHEMBL9764927 0.86 P2RX4 (0.47) POLBLMNAKDM4EMAPK1MAPT
SCHEMBL9764822 0.84 POLB (0.46) POLBLMNAKDM4EMAPK1NPY5R
SCHEMBL9764827 0.83 ALDH1A1 (0.54) POLBLMNAKDM4EMAPK1MAPT
SCHEMBL9764861 0.72 KDM4E (0.51) KDM4ENPY5RMAPTALDH1A1HPGD
SCHEMBL9764866 0.72 ALOX5 (0.43) LMNAKDM4EMAPTALOX5ALDH1A1
SCHEMBL9764977 0.72 POLB (0.53) POLBLMNAALOX5
SCHEMBL153365 0.72 POLB (1.00) POLBLMNAKDM4EMAPTALDH1A1
SCHEMBL29787117 0.72 POLB (1.00) POLBLMNAKDM4EMAPTALDH1A1
SCHEMBL29771433 0.72 POLB (1.00) POLBLMNAKDM4EMAPTALDH1A1
SCHEMBL9764922 0.70 ALOX5 (0.49) POLBKDM4EMAPTALOX5ALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0422079-A4 TRICYCLIC LIPOXYGENASE INHIBITING COMPOUNDS, COMPOSITIONS, METHODS OF USE 1991-08-21 EP disclosed
EP-0422079-A1 TRICYCLIC LIPOXYGENASE INHIBITING COMPOUNDS, COMPOSITIONS, METHODS OF USE ABBOTT LABORATORIES (US) 1991-04-17 EP disclosed
WO-1989012636-A1 TRICYCLIC LIPOXYGENASE INHIBITING COMPOUNDS, COMPOSITIONS, METHODS OF USE ABBOTT LABORATORIES (US) 1989-12-28 WO disclosed
EP-0346939-A1 Tricyclic lipoxygenase inhibiting compounds ABBOTT LABORATORIES (US) 1989-12-20 EP disclosed
US-4822811-A Carbazole lipoxygenase inhibiting compounds, compositions and use ABBOTT LABORATORIES (US) 1989-04-18 US disclosed