SCHEMBL7846022

SCHEMBL7846022

O=C(O)c1c[nH]c2cc(-c3ccc(F)cc3)ccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.55
PRKAB2 O43741 6/20 0.51
PRKAG1 P54619 6/20 0.51
PRKAA2 P54646 6/20 0.51
PRKAA1 Q13131 6/20 0.51
PRKAG3 Q9UGI9 6/20 0.51
PRKAG2 Q9UGJ0 6/20 0.51
PRKAB1 Q9Y478 6/20 0.51
HAT1 O14929 3/20 0.50
EP300 Q09472 3/20 0.50
GPR17 Q13304 1/20 0.49
HPGD P15428 2/20 0.48
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
CYP1A2 P05177 1/20 0.48
ALOX12 P18054 1/20 0.48
KMT2A Q03164 1/20 0.48
TDO2 P48775 1/20 0.47
BCL2L1 Q07817 1/20 0.46
BAD Q92934 1/20 0.46

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
SCHEMBL30417250 0.86 KDM4E (0.66) KDM4EPRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL2818109 0.86 KDM4E (0.66) KDM4EPRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL7494290 0.85 MAPT (0.57) HAT1EP300GPR17MEN1KMT2A
SCHEMBL7847121 0.84 CDK4 (0.46) HAT1EP300HPGDCYP1A2KMT2A
SCHEMBL31147988 0.84 NR4A2 (0.63) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL6325476 0.82 NR4A2 (0.47) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL27839464 0.81 NR4A2 (0.46) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL10835850 0.78 ALDH1A1 (0.59) KDM4EPRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL4452877 0.77 KDM4E (0.77) KDM4EHPGDMEN1ALDH1A1CYP1A2
SCHEMBL30416773 0.77 KDM4E (0.77) KDM4EHPGDMEN1ALDH1A1CYP1A2

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-0821685-B1 INDOLE-3-CARBONYL AND INDOLE-3-SULFONYL DERIVATIVES AS PLATELET ACTIVATING FACTOR ANTAGONISTS ABBOTT LAB (US) 2001-10-04 EP disclosed
EP-0821685-A1 INDOLE-3-CARBONYL AND INDOLE-3-SULFONYL DERIVATIVES AS PLATELET ACTIVATING FACTOR ANTAGONISTS ABBOTT LABORATORIES (US) 1998-02-04 EP disclosed
US-5654305-A TREATING PLATELET ACTIVATING FACTOR MEDIATED DISORDERS ABBOTT LABORATORIES (US) 1997-08-05 US disclosed
WO-1996033196-A1 INDOLE-3-CARBONYL AND INDOLE-3-SULFONYL DERIVATIVES AS PLATELET ACTIVATING FACTOR ANTAGONISTS ABBOTT LABORATORIES (US) 1996-10-24 WO disclosed
US-5567711-A Indole-3-carbonyl and indole-3-sulfonyl derivatives as platelet activating factor antagonists ABBOTT LABORATORIES (US) 1996-10-22 US disclosed