SCHEMBL6739116

SCHEMBL6739116

O=Cc1ccc(Oc2ccc(I)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 1/20 0.55
PARP3 Q9Y6F1 1/20 0.55
ALDH1A1 P00352 6/20 0.52
CYP2A6 P11509 2/20 0.52
KDM4E B2RXH2 4/20 0.52
LMNA P02545 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
ALDH1A3 P47895 1/20 0.47
STS P08842 1/20 0.45
DRD1 P21728 1/20 0.42
KMT2A Q03164 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ALDH5A1 P51649 1/20 0.41
ABAT P80404 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
POLB P06746 1/20 0.40
CASP6 P55212 1/20 0.40
MAPT P10636 2/20 0.39
LTA4H P09960 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL1663469 0.88 PARP10 (0.65) PARP10PARP3ALDH1A1CYP2A6KDM4E
SCHEMBL5050902 0.88 PARP10 (0.65) PARP10PARP3ALDH1A1CYP2A6KDM4E
SCHEMBL96637 0.85
SCHEMBL2883028 0.80 LTA4H (0.50) ALDH1A1KMT2AMAPTLTA4HCA1
SCHEMBL3845620 0.80 LTA4H (0.50) ALDH1A1KMT2AMAPTLTA4HCA1
SCHEMBL3841043 0.80 LTA4H (0.50) ALDH1A1KMT2AMAPTLTA4HCA1
SCHEMBL888020 0.79 ALDH1A1 (0.59) PARP10PARP3ALDH1A1CYP2A6KDM4E
SCHEMBL97639 0.79 ALDH1A1 (0.59) PARP10PARP3ALDH1A1CYP2A6KDM4E
SCHEMBL12037310 0.78 DRD1 (0.47) ALDH1A1CYP2A6KDM4EALDH1A3DRD1
SCHEMBL23975504 0.77 CYP2A6 (0.73) PARP10PARP3ALDH1A1CYP2A6KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE38425-E1 ANTICONVULSANTS ADMINISTERED ORALLLY UNIVERSITY OF SASKATCHEWAN TECHNOLOGIES, INC. (CA) 2004-02-10 US claimed
EP-0836591-B1 SEMICARBAZONES HAVING CNS ACTIVITY AND PHARMACEUTICAL PREPARATIONS CONTAINING SAME UNIV SASKATCHEWAN (CA) 2001-09-26 EP claimed
US-5741818-A ANTICONVULSANTS UNIVERSITY OF SASKATCHEWAN (CA) 1998-04-21 US claimed
US-5276037-A Antiinflammatory agents, antiallergens IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1994-01-04 US disclosed
US-5272173-A 5-lipoxygenase inhibitors IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-12-21 US disclosed
US-5225438-A Lipoxygenase inhibitors for antiinflammatory agents or antiallergens IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-07-06 US disclosed
EP-0488602-A1 Aryl derivatives ZENECA LIMITED (GB) 1992-06-03 EP disclosed